3-methyl-2-[methyl-[1-(phenylmethyl)azepan-4-yl]amino]-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 3-methyl-2-[methyl-[1-(phenylmethyl)azepan-4-yl]amino]-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[(1-benzylazepan-4-yl)-methyl-amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 3-methyl-2-[methyl-[1-(phenylmethyl)-4-azepanyl]amino]-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[(1-benzylazepan-4-yl)-methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[(1-benzylazepan-4-yl)-methyl-amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N(C)C2CCCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N(C)C2CCCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C24H29N5O/c1-27(21-9-6-15-29(16-12-21)18-19-7-4-3-5-8-19)24-26-22(17-23(30)28(24)2)20-10-13-25-14-11-20/h3-5,7-8,10-11,13-14,17,21H,6,9,12,15-16,18H2,1-2H3