6-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-[2-(1-methyl-2-piperidyl)ethylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[2-(1-methyl-2-piperidinyl)ethylthio]-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-[2-(1-methyl-2-piperidyl)ethylthio]-1H-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCC2CCCCN2C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCC2CCCCN2C)C(=O)O

InChI

InChI=1S/C14H21N3O3S/c1-9-11(13(18)19)12(16-14(20)15-9)21-8-6-10-5-3-4-7-17(10)2/h10H,3-8H2,1-2H3,(H,18,19)(H,15,16,20)