4-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-methyl-1-piperidyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-methyl-1-piperidinyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-methylpiperidin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-methylpiperidino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

CC1CCN(CC1)C2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C12H17N3O2S/c1-8-3-5-15(6-4-8)10-9(11(16)17)7-13-12(14-10)18-2/h7-8H,3-6H2,1-2H3,(H,16,17)