4-[[6-[[4-(cyanomethoxy)-2,6-dimethyl-phenyl]amino]-7H-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[[4-(cyanomethoxy)-2,6-dimethyl-phenyl]amino]-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-(cyanomethoxy)-2,6-dimethyl-anilino]-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-(cyanomethoxy)-2,6-dimethylanilino]-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-[4-(cyanomethoxy)-2,6-dimethylanilino]-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-(cyanomethoxy)-2,6-dimethyl-anilino]-7H-purin-2-yl]amino]benzonitrile Formula: C22H18N8O MolecularWeight: 410.43132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)C)OCC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N)C)OCC#N

InChI

InChI=1S/C22H18N8O/c1-13-9-17(31-8-7-23)10-14(2)18(13)28-21-19-20(26-12-25-19)29-22(30-21)27-16-5-3-15(11-24)4-6-16/h3-6,9-10,12H,8H2,1-2H3,(H3,25,26,27,28,29,30)