4-(cyanomethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(cyanomethylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyanomethylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyanomethylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(cyanomethylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyanomethylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC#N)C(=O)O

InChI

InChI=1S/C11H13N3O2S/c1-6(2)9-13-7(3)8(11(15)16)10(14-9)17-5-4-12/h6H,5H2,1-3H3,(H,15,16)