1,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1,4-dimethyl-6-(3-nitrophenyl)-2-thioxo-pyrimidine-5-carboxylic acid CAS Name: 1,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidene-5-pyrimidinecarboxylic acid IUPAC Name: 1,4-dimethyl-6-(3-nitrophenyl)-2-sulfanylidenepyrimidine-5-carboxylic acid Traditional Name: 1,4-dimethyl-6-(3-nitrophenyl)-2-thioxo-pyrimidine-5-carboxylic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)N(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=S)N(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H11N3O4S/c1-7-10(12(17)18)11(15(2)13(21)14-7)8-4-3-5-9(6-8)16(19)20/h3-6H,1-2H3,(H,17,18)