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

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-3-propanoyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-3-(1-oxopropyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-propionyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5S/c1-3-11(19)17-13(9-5-4-6-10(7-9)18(22)23)12(14(20)21)8(2)16-15(17)24/h4-7,13H,3H2,1-2H3,(H,16,24)(H,20,21)