2-azanyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 2-azanyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 2-amino-6-(o-tolylmethylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 2-amino-6-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid IUPAC Name: 2-amino-6-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Traditional Name: 2-amino-6-[(2-methylbenzyl)thio]pyrimidine-4-carboxylic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=NC(=C2)C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=NC(=C2)C(=O)O)N

InChI

InChI=1S/C13H13N3O2S/c1-8-4-2-3-5-9(8)7-19-11-6-10(12(17)18)15-13(14)16-11/h2-6H,7H2,1H3,(H,17,18)(H2,14,15,16)