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

Systemtic Name: 4-(cyanomethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyanomethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyanomethylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(cyanomethylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyanomethylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC#N)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-6-8(11(15)16)10(17-5-4-12)14-9(13-6)7-2-3-7/h7H,2-3,5H2,1H3,(H,15,16)