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Pyrimidodiazepines

Pyrimidodiazepines

Organic heterocyclic compounds that consist of a pyrimidine ring fused with a diazepine ring.
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LRRK2-IN-1, Tocris Bioscience™

CAS: 1234480-84-2 Molecular Formula: C31H38N8O3 Molecular Weight (g/mol): 570.698 InChI Key: IWMCPJZTADUIFX-UHFFFAOYSA-N Synonym: lrrk2-in-1,lrrk2in1,lrrk2-in1,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl phenyl amino-5,11-dimethyl-5h-benzo e pyrimido 5,4-b 1,4 diazepin-6 11h-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl phenyl-amino-5,11-dimethyl-5h-benzo e pyrimido 5,4-b 1,4 diazepin-6 11h-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl anilino-5,11-dimethylpyrimido 4,5-b 1,4 benzodiazepin-6-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidin-1-yl carbonyl phenyl amino-5,11-dimethyl-5,11-dihydro-6h-pyrimido 4,5-b 1,4 benzodiazepin-6-one,5,11-dihydro-2-2-methoxy-4-4-4-methyl-1-piperazinyl-1-piperidinyl carbonyl phenyl amino-5,11-dimethyl-6h-pyrimido 4,5-b 1,4 benzodiazepin-6-one,lrrk-2in1,lrrk2-tn-1 PubChem CID: 46843906 ChEBI: CHEBI:78413 IUPAC Name: 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one SMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC

PubChem CID 46843906
CAS 1234480-84-2
Molecular Weight (g/mol) 570.698
ChEBI CHEBI:78413
SMILES CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC
Synonym lrrk2-in-1,lrrk2in1,lrrk2-in1,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl phenyl amino-5,11-dimethyl-5h-benzo e pyrimido 5,4-b 1,4 diazepin-6 11h-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl phenyl-amino-5,11-dimethyl-5h-benzo e pyrimido 5,4-b 1,4 diazepin-6 11h-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidine-1-carbonyl anilino-5,11-dimethylpyrimido 4,5-b 1,4 benzodiazepin-6-one,2-2-methoxy-4-4-4-methylpiperazin-1-yl piperidin-1-yl carbonyl phenyl amino-5,11-dimethyl-5,11-dihydro-6h-pyrimido 4,5-b 1,4 benzodiazepin-6-one,5,11-dihydro-2-2-methoxy-4-4-4-methyl-1-piperazinyl-1-piperidinyl carbonyl phenyl amino-5,11-dimethyl-6h-pyrimido 4,5-b 1,4 benzodiazepin-6-one,lrrk-2in1,lrrk2-tn-1
IUPAC Name 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
InChI Key IWMCPJZTADUIFX-UHFFFAOYSA-N
Molecular Formula C31H38N8O3