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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S2/c1-2-6-15-13-17(24)21-19(20-15)28-14-18(25)22-9-11-23(12-10-22)29(26,27)16-7-4-3-5-8-16/h3-5,7-8,13H,2,6,9-12,14H2,1H3,(H,20,21,24)