9-cyclopentyl-5,7,7-trimethyl-2-phenylazanyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 9-cyclopentyl-5,7,7-trimethyl-2-phenylazanyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 2-anilino-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 2-anilino-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 2-anilino-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 2-anilino-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C21H27N5O/c1-21(2)14-26(16-11-7-8-12-16)18-17(25(3)19(21)27)13-22-20(24-18)23-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,22,23,24)