4-(tert-butylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(tert-butylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(tert-butylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(tert-butylamino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(tert-butylamino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(tert-butylamino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C17H20N4S MolecularWeight: 312.4325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S/c1-11-6-8-12(9-7-11)14-13(10-18)15(21-17(2,3)4)20-16(19-14)22-5/h6-9H,1-5H3,(H,19,20,21)