4-(2-dimethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-dimethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-dimethylaminoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-dimethylaminoethylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-dimethylaminoethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-dimethylaminoethylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCN(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCN(C)C)C(=O)O)C

InChI

InChI=1S/C12H19N3O2S/c1-5-9-13-8(2)10(12(16)17)11(14-9)18-7-6-15(3)4/h5-7H2,1-4H3,(H,16,17)