2-methylsulfanyl-6-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-6-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(methylthio)-6-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[(4-benzylsulfonylpiperazino)methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O3S2/c1-25-17-18-15(11-16(22)19-17)12-20-7-9-21(10-8-20)26(23,24)13-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,18,19,22)