2-[2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-5-(phenylsulfonyl)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-cyclohexyl-4-methylsulfanyl-6-oxidanylidene-5-(phenylsulfonyl)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzenesulfonyl)-2-cyclohexyl-4-methylsulfanyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-(benzenesulfonyl)-2-cyclohexyl-4-(methylthio)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-(benzenesulfonyl)-2-cyclohexyl-4-methylsulfanyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-besyl-2-cyclohexyl-6-keto-4-(methylthio)pyrimidin-1-yl]acetic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)C2CCCCC2)CC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)C2CCCCC2)CC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c1-27-18-16(28(25,26)14-10-6-3-7-11-14)19(24)21(12-15(22)23)17(20-18)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3,(H,22,23)