6-methyl-2-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-oxidanylidene-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-(4-pyridylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-(pyridin-4-ylmethylthio)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(4-pyridylmethylthio)-1H-pyrimidine-5-carboxylic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3S/c1-7-9(11(16)17)10(15-12(18)14-7)19-6-8-2-4-13-5-3-8/h2-5H,6H2,1H3,(H,16,17)(H,14,15,18)