2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C16H18N4O4S2 MolecularWeight: 394.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC(=O)N2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC(=O)N2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4S2/c21-14-6-7-17-16(18-14)25-12-15(22)19-8-10-20(11-9-19)26(23,24)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,17,18,21)