6-methyl-4-(2-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(2-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(2-nitrophenyl)-3-propyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(2-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(2-nitrophenyl)-3-propyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(2-nitrophenyl)-3-propyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-3-8-17-13(10-6-4-5-7-11(10)18(21)22)12(14(19)20)9(2)16-15(17)23/h4-7,13H,3,8H2,1-2H3,(H,16,23)(H,19,20)