4-[(4R)-5-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-5-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-[(3,4-dimethylphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C20H19N4O4S- MolecularWeight: 411.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=S)N[C@@H]2C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C)C

InChI

InChI=1S/C20H20N4O4S/c1-10-4-6-14(8-11(10)2)22-19(26)17-12(3)21-20(29)23-18(17)13-5-7-16(25)15(9-13)24(27)28/h4-9,18,25H,1-3H3,(H,22,26)(H2,21,23,29)/p-1/t18-/m1/s1