2-methylsulfanyl-4-(phenethylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-(phenethylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4-(phenethylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-(phenethylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-(phenethylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(phenethylamino)pyrimidine-5-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O2S/c1-20-14-16-9-11(13(18)19)12(17-14)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,18,19)(H,15,16,17)