2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 2-(3H-benzimidazol-5-ylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=CC4=C(C=C3)N=CN4)C5CCCC5)C

Isomeric SMILES

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=CC4=C(C=C3)N=CN4)C5CCCC5)C

InChI

InChI=1S/C22H27N7O/c1-22(2)12-29(15-6-4-5-7-15)19-18(28(3)20(22)30)11-23-21(27-19)26-14-8-9-16-17(10-14)25-13-24-16/h8-11,13,15H,4-7,12H2,1-3H3,(H,24,25)(H,23,26,27)