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

Systemtic Name: 3-methyl-2-[(1-methylazepan-4-yl)amino]-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 3-methyl-2-[(1-methylazepan-4-yl)amino]-6-(4-pyridyl)pyrimidin-4-one CAS Name: 3-methyl-2-[(1-methyl-4-azepanyl)amino]-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 3-methyl-2-[(1-methylazepan-4-yl)amino]-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 3-methyl-2-[(1-methylazepan-4-yl)amino]-6-(4-pyridyl)pyrimidin-4-one Formula: C17H23N5O MolecularWeight: 313.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)NC2=NC(=CC(=O)N2C)C3=CC=NC=C3

Isomeric SMILES

CN1CCCC(CC1)NC2=NC(=CC(=O)N2C)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5O/c1-21-10-3-4-14(7-11-21)19-17-20-15(12-16(23)22(17)2)13-5-8-18-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,19,20)