4-[[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]amino]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[2-(4-cyanoanilino)-9-methyl-purin-6-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-(4-cyanoanilino)-9-methyl-6-purinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[2-(4-cyanoanilino)-9-methylpurin-6-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[2-(4-cyanoanilino)-9-methyl-purin-6-yl]amino]-3,5-dimethyl-benzonitrile Formula: C22H18N8 MolecularWeight: 394.43192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC3=C2N=CN3C)NC4=CC=C(C=C4)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC3=C2N=CN3C)NC4=CC=C(C=C4)C#N)C)C#N

InChI

InChI=1S/C22H18N8/c1-13-8-16(11-24)9-14(2)18(13)27-20-19-21(30(3)12-25-19)29-22(28-20)26-17-6-4-15(10-23)5-7-17/h4-9,12H,1-3H3,(H2,26,27,28,29)