2-[azepan-4-yl(pyridin-2-yl)amino]-8-cyclopentyl-6-(phenylmethyl)pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-8-cyclopentyl-6-(phenylmethyl)pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[azepan-4-yl(2-pyridyl)amino]-6-benzyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-azepanyl(2-pyridinyl)amino]-8-cyclopentyl-6-(phenylmethyl)-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[azepan-4-yl(2-pyridyl)amino]-6-benzyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one Formula: C30H34N6O MolecularWeight: 494.63056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)CC4=CC=CC=C4)N(C5CCCNCC5)C6=CC=CC=N6

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)CC4=CC=CC=C4)N(C5CCCNCC5)C6=CC=CC=N6

InChI

InChI=1S/C30H34N6O/c37-29-23(19-22-9-2-1-3-10-22)20-24-21-33-30(34-28(24)36(29)25-11-4-5-12-25)35(27-14-6-7-17-32-27)26-13-8-16-31-18-15-26/h1-3,6-7,9-10,14,17,20-21,25-26,31H,4-5,8,11-13,15-16,18-19H2