1-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione

Systemtic Name: 1-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione Openeye Name: 1-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 1-[2-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 1-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-keto-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]pyrimidine-2,4-quinone Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CN3C=CC(=O)NC3=O

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CN3C=CC(=O)NC3=O

InChI

InChI=1S/C17H22N4O3/c1-19-9-5-7-13(19)14-6-3-2-4-10-21(14)16(23)12-20-11-8-15(22)18-17(20)24/h5,7-9,11,14H,2-4,6,10,12H2,1H3,(H,18,22,24)