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

Systemtic Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-8-cyclopentyl-6-(hydroxymethyl)pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[azepan-4-yl(2-pyridyl)amino]-8-cyclopentyl-6-(hydroxymethyl)pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-azepanyl(2-pyridinyl)amino]-8-cyclopentyl-6-(hydroxymethyl)-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-8-cyclopentyl-6-(hydroxymethyl)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[azepan-4-yl(2-pyridyl)amino]-8-cyclopentyl-6-methylol-pyrido[2,3-d]pyrimidin-7-one Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)CO)N(C4CCCNCC4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)CO)N(C4CCCNCC4)C5=CC=CC=N5

InChI

InChI=1S/C24H30N6O2/c31-16-18-14-17-15-27-24(28-22(17)30(23(18)32)19-6-1-2-7-19)29(21-9-3-4-12-26-21)20-8-5-11-25-13-10-20/h3-4,9,12,14-15,19-20,25,31H,1-2,5-8,10-11,13,16H2