5-chloranyl-2-[(4-nitrophenyl)carbamothioylamino]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[(4-nitrophenyl)carbamothioylamino]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[(4-nitrophenyl)carbamothioylamino]pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[(4-nitrophenyl)carbamothioylamino]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[(4-nitrophenyl)thiocarbamoylamino]pyrimidine-4-carboxylic acid Formula: C12H8ClN5O4S MolecularWeight: 353.74102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=NC=C(C(=N2)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=NC=C(C(=N2)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN5O4S/c13-8-5-14-11(16-9(8)10(19)20)17-12(23)15-6-1-3-7(4-2-6)18(21)22/h1-5H,(H,19,20)(H2,14,15,16,17,23)