2-methyl-5-(phenylcarbonylcarbamothioylamino)pyrimidine-4-carboxylic acid

Systemtic Name: 2-methyl-5-(phenylcarbonylcarbamothioylamino)pyrimidine-4-carboxylic acid Openeye Name: 5-(benzoylcarbamothioylamino)-2-methyl-pyrimidine-4-carboxylic acid CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxylic acid Traditional Name: 5-(benzoylthiocarbamoylamino)-2-methyl-pyrimidine-4-carboxylic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=N1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12N4O3S/c1-8-15-7-10(11(16-8)13(20)21)17-14(22)18-12(19)9-5-3-2-4-6-9/h2-7H,1H3,(H,20,21)(H2,17,18,19,22)