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

Systemtic Name: 6-methyl-2-oxidanylidene-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[2-(1-piperidinyl)ethylthio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(2-piperidinoethylthio)-1H-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCN2CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCN2CCCCC2)C(=O)O

InChI

InChI=1S/C13H19N3O3S/c1-9-10(12(17)18)11(15-13(19)14-9)20-8-7-16-5-3-2-4-6-16/h2-8H2,1H3,(H,17,18)(H,14,15,19)