4-[(4-nitrophenyl)carbamothioylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-nitrophenyl)carbamothioylamino]pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-nitrophenyl)carbamothioylamino]pyrimidine-5-carboxylic acid CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-nitrophenyl)carbamothioylamino]pyrimidine-5-carboxylic acid Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]pyrimidine-5-carboxylic acid Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=NC=NC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=NC=NC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S/c18-11(19)9-5-13-6-14-10(9)16-12(22)15-7-1-3-8(4-2-7)17(20)21/h1-6H,(H,18,19)(H2,13,14,15,16,22)