6-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide

Systemtic Name: 6-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide Openeye Name: 6-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidyl)pyridine-3-carboxamide CAS Name: 6-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidinyl)-3-pyridinecarboxamide IUPAC Name: 6-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide Traditional Name: 6-[(9-cyclopentyl-6-keto-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidyl)nicotinamide Formula: C25H34N8O2 MolecularWeight: 478.58986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CN=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCCC5

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CN=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCCC5

InChI

InChI=1S/C25H34N8O2/c1-31-12-9-18(10-13-31)28-24(35)17-7-8-21(26-15-17)29-25-27-16-20-23(30-25)33(19-5-3-4-6-19)14-11-22(34)32(20)2/h7-8,15-16,18-19H,3-6,9-14H2,1-2H3,(H,28,35)(H,26,27,29,30)