4-[[9-methyl-6-[(2,4,6-trimethylphenyl)amino]purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[9-methyl-6-[(2,4,6-trimethylphenyl)amino]purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[9-methyl-6-(2,4,6-trimethylanilino)purin-2-yl]amino]benzonitrile CAS Name: 4-[[9-methyl-6-(2,4,6-trimethylanilino)-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[9-methyl-6-(2,4,6-trimethylanilino)purin-2-yl]amino]benzonitrile Traditional Name: 4-[(6-mesidino-9-methyl-purin-2-yl)amino]benzonitrile Formula: C22H21N7 MolecularWeight: 383.44904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC3=C2N=CN3C)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC3=C2N=CN3C)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C22H21N7/c1-13-9-14(2)18(15(3)10-13)26-20-19-21(29(4)12-24-19)28-22(27-20)25-17-7-5-16(11-23)6-8-17/h5-10,12H,1-4H3,(H2,25,26,27,28)