4-(2-acetamidoethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-acetamidoethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-acetamidoethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-acetamidoethylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-acetamidoethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-acetamidoethylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3S/c1-6-9(11(16)17)10(14-7(2)13-6)18-5-4-12-8(3)15/h4-5H2,1-3H3,(H,12,15)(H,16,17)