9-cyclopentyl-5-methyl-2-(pyridin-3-ylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 9-cyclopentyl-5-methyl-2-(pyridin-3-ylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 9-cyclopentyl-5-methyl-2-(3-pyridylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 9-cyclopentyl-5-methyl-2-(3-pyridinylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 9-cyclopentyl-5-methyl-2-(pyridin-3-ylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 9-cyclopentyl-5-methyl-2-(3-pyridylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=CN=CC=C3)C4CCCC4

Isomeric SMILES

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=CN=CC=C3)C4CCCC4

InChI

InChI=1S/C18H22N6O/c1-23-15-12-20-18(21-13-5-4-9-19-11-13)22-17(15)24(10-8-16(23)25)14-6-2-3-7-14/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3,(H,20,21,22)