4-azanyl-2-(4-methylphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(4-methylphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-methylsulfanyl-2-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(4-methylphenyl)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(4-methylphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(methylthio)-2-(p-tolyl)pyrimidine-5-carbonitrile Formula: C13H12N4S MolecularWeight: 256.32618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)SC)C#N)N

InChI

InChI=1S/C13H12N4S/c1-8-3-5-9(6-4-8)12-16-11(15)10(7-14)13(17-12)18-2/h3-6H,1-2H3,(H2,15,16,17)