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

Systemtic Name: 4-(2-acetamidoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-acetamidoethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-acetamidoethylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-acetamidoethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-acetamidoethylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-4-9-14-7(2)10(12(17)18)11(15-9)19-6-5-13-8(3)16/h4-6H2,1-3H3,(H,13,16)(H,17,18)