2-cyclopropyl-4-methyl-6-[(1-methylimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-methyl-6-[(1-methylimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-[(1-methylimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-[(1-methyl-2-imidazolyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-[(1-methylimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-methyl-6-[(1-methylimidazol-2-yl)methylthio]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)SCC3=NC=CN3C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=NC=CN3C)C(=O)O

InChI

InChI=1S/C14H16N4O2S/c1-8-11(14(19)20)13(17-12(16-8)9-3-4-9)21-7-10-15-5-6-18(10)2/h5-6,9H,3-4,7H2,1-2H3,(H,19,20)