4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[2-(1-imidazolyl)ethylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(2-imidazol-1-ylethylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCN2C=CN=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C11H12N4O3S/c1-7-8(10(16)17)9(14-11(18)13-7)19-5-4-15-3-2-12-6-15/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,18)