4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-(2-methylanilino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-(2-methylanilino)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-(2-methylanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 2-(methylthio)-4-(o-toluidino)pyrimidine-5-carbaldehyde Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC=C2C=O)SC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC=C2C=O)SC

InChI

InChI=1S/C13H13N3OS/c1-9-5-3-4-6-11(9)15-12-10(8-17)7-14-13(16-12)18-2/h3-8H,1-2H3,(H,14,15,16)