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

Systemtic Name: 4-[(4R)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-[(2-methoxyanilino)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C19H17N4O5S- MolecularWeight: 413.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C19H18N4O5S/c1-10-16(18(25)21-12-5-3-4-6-15(12)28-2)17(22-19(29)20-10)11-7-8-14(24)13(9-11)23(26)27/h3-9,17,24H,1-2H3,(H,21,25)(H2,20,22,29)/p-1/t17-/m1/s1