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

Systemtic Name: 3-methyl-2-[[1-(phenylmethyl)azepan-3-yl]amino]-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[(1-benzylazepan-3-yl)amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 3-methyl-2-[[1-(phenylmethyl)-3-azepanyl]amino]-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[(1-benzylazepan-3-yl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[(1-benzylazepan-3-yl)amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C23H27N5O MolecularWeight: 389.49338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1NC2CCCCN(C2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1NC2CCCCN(C2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5O/c1-27-22(29)15-21(19-10-12-24-13-11-19)26-23(27)25-20-9-5-6-14-28(17-20)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,15,20H,5-6,9,14,16-17H2,1H3,(H,25,26)