4-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-pyrrolidin-3-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-pyrrolidin-3-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-pyrrolidin-3-yl-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-(3-pyrrolidinyl)benzamide IUPAC Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-pyrrolidin-3-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-pyrrolidin-3-yl-benzamide Formula: C25H33N7O3 MolecularWeight: 479.57462

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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)NC4CCNC4)OC)C5CCCC5

Isomeric SMILES

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4CCNC4)OC)C5CCCC5

InChI

InChI=1S/C25H33N7O3/c1-31-20-15-27-25(30-23(20)32(12-10-22(31)33)18-5-3-4-6-18)29-19-8-7-16(13-21(19)35-2)24(34)28-17-9-11-26-14-17/h7-8,13,15,17-18,26H,3-6,9-12,14H2,1-2H3,(H,28,34)(H,27,29,30)