4-[methyl-[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[methyl-[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[methyl-[8-(3-methylanilino)-6-morpholino-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[methyl-[8-(3-methylanilino)-6-(4-morpholinyl)-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[methyl-[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[methyl-[6-morpholino-8-(m-toluidino)-7H-purin-2-yl]amino]benzonitrile Formula: C24H24N8O MolecularWeight: 440.50036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)N(C)C4=CC=C(C=C4)C#N)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)N(C)C4=CC=C(C=C4)C#N)N5CCOCC5

InChI

InChI=1S/C24H24N8O/c1-16-4-3-5-18(14-16)26-23-27-20-21(28-23)29-24(30-22(20)32-10-12-33-13-11-32)31(2)19-8-6-17(15-25)7-9-19/h3-9,14H,10-13H2,1-2H3,(H2,26,27,28,29,30)