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

Systemtic Name: 2-cyclopropyl-4-methyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-(4-pyridylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-(pyridin-4-ylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-methyl-6-(4-pyridylmethylthio)pyrimidine-5-carboxylic acid Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H15N3O2S/c1-9-12(15(19)20)14(18-13(17-9)11-2-3-11)21-8-10-4-6-16-7-5-10/h4-7,11H,2-3,8H2,1H3,(H,19,20)