2-cyclopropyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-[2-(1-imidazolyl)ethylthio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-(2-imidazol-1-ylethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-(2-imidazol-1-ylethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCN3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C14H16N4O2S/c1-9-11(14(19)20)13(17-12(16-9)10-2-3-10)21-7-6-18-5-4-15-8-18/h4-5,8,10H,2-3,6-7H2,1H3,(H,19,20)