3-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[3-[(4-tert-butylphenyl)sulfonyl-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[(4-tert-butylphenyl)sulfonyl-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C26H32N4O7S MolecularWeight: 544.61988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H32N4O7S/c1-17-22(24(31)32)23(18-8-6-9-20(16-18)30(34)35)29(25(33)27-17)15-7-14-28(5)38(36,37)21-12-10-19(11-13-21)26(2,3)4/h6,8-13,16,23H,7,14-15H2,1-5H3,(H,27,33)(H,31,32)