3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(benzylthio)-6-phenyl-pyrimidin-4-one Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c29-23-17-22(21-13-7-4-8-14-21)26-25(31-19-20-11-5-3-6-12-20)28(23)18-24(30)27-15-9-1-2-10-16-27/h3-8,11-14,17H,1-2,9-10,15-16,18-19H2