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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-1H-pyrimidin-6-one Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C17H20N4O4S2/c1-13-2-4-14(5-3-13)27(24,25)21-10-8-20(9-11-21)16(23)12-26-17-18-7-6-15(22)19-17/h2-7H,8-12H2,1H3,(H,18,19,22)