2-ethylsulfanyl-4-[(4-nitrophenyl)carbamoylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethylsulfanyl-4-[(4-nitrophenyl)carbamoylamino]pyrimidine-5-carboxylic acid Openeye Name: 2-ethylsulfanyl-4-[(4-nitrophenyl)carbamoylamino]pyrimidine-5-carboxylic acid CAS Name: 2-(ethylthio)-4-[[(4-nitroanilino)-oxomethyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethylsulfanyl-4-[(4-nitrophenyl)carbamoylamino]pyrimidine-5-carboxylic acid Traditional Name: 2-(ethylthio)-4-[(4-nitrophenyl)carbamoylamino]pyrimidine-5-carboxylic acid Formula: C14H13N5O5S MolecularWeight: 363.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCSC1=NC=C(C(=N1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N5O5S/c1-2-25-14-15-7-10(12(20)21)11(18-14)17-13(22)16-8-3-5-9(6-4-8)19(23)24/h3-7H,2H2,1H3,(H,20,21)(H2,15,16,17,18,22)