3-[3-[(2-methoxycarbonylphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-[3-[(2-methoxycarbonylphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-[(2-methoxycarbonylphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[3-[(2-methoxycarbonylphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[(2-methoxycarbonylphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-[3-[(2-carbomethoxyphenyl)sulfonylmethylamino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C24H26N4O9S MolecularWeight: 546.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H26N4O9S/c1-15-20(22(29)30)21(16-7-5-8-17(13-16)28(33)34)27(24(32)26-15)12-6-11-25-14-38(35,36)19-10-4-3-9-18(19)23(31)37-2/h3-5,7-10,13,21,25H,6,11-12,14H2,1-2H3,(H,26,32)(H,29,30)