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

Systemtic Name: 6-methyl-2-oxidanylidene-4-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(2-pyrrolidinoethylthio)-1H-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCN2CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCN2CCCC2)C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-8-9(11(16)17)10(14-12(18)13-8)19-7-6-15-4-2-3-5-15/h2-7H2,1H3,(H,16,17)(H,13,14,18)