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

Systemtic Name: 4-methyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[(1-methyl-4-pyrazolyl)methylthio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-[(1-methylpyrazol-4-yl)methylthio]pyrimidine-5-carboxylic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CN(N=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CN(N=C2)C)C(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-8(2)12-16-9(3)11(14(19)20)13(17-12)21-7-10-5-15-18(4)6-10/h5-6,8H,7H2,1-4H3,(H,19,20)