6-[methyl-(phenylmethyl)carbamoyl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-[methyl-(phenylmethyl)carbamoyl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-[benzyl(methyl)carbamoyl]-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-[[methyl-(phenylmethyl)amino]-oxomethyl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-[benzyl(methyl)carbamoyl]-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-[benzyl(methyl)carbamoyl]-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=C(C=NC(=S)N2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=C(C=NC(=S)N2)C(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-17(8-9-5-3-2-4-6-9)12(18)11-10(13(19)20)7-15-14(21)16-11/h2-7H,8H2,1H3,(H,19,20)(H,15,16,21)