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

Systemtic Name: 4-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-pyridin-4-yl-benzamide Openeye Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(4-pyridyl)benzamide CAS Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-pyridin-4-ylbenzamide IUPAC Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-pyridin-4-ylbenzamide Traditional Name: 4-[(9-cyclopentyl-6-keto-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(4-pyridyl)benzamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4=CC=NC=C4)OC)C5CCCC5

Isomeric SMILES

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4=CC=NC=C4)OC)C5CCCC5

InChI

InChI=1S/C26H29N7O3/c1-32-21-16-28-26(31-24(21)33(14-11-23(32)34)19-5-3-4-6-19)30-20-8-7-17(15-22(20)36-2)25(35)29-18-9-12-27-13-10-18/h7-10,12-13,15-16,19H,3-6,11,14H2,1-2H3,(H,27,29,35)(H,28,30,31)