[4-[(4S)-5-(dimethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(4S)-5-(dimethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(4S)-5-(dimethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4S)-5-[dimethylamino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4S)-5-(dimethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4S)-5-(dimethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-phenyl] ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C3C(=C(NC(=S)N3)C)C(=O)N(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)[C@H]3C(=C(NC(=S)N3)C)C(=O)N(C)C)OC

InChI

InChI=1S/C23H27N3O5S2/c1-13-7-8-14(2)19(11-13)33(28,29)31-17-10-9-16(12-18(17)30-6)21-20(22(27)26(4)5)15(3)24-23(32)25-21/h7-12,21H,1-6H3,(H2,24,25,32)/t21-/m0/s1