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

Systemtic Name: 4-[[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]oxy]benzenecarbonitrile Openeye Name: 4-[[8-(3-methylanilino)-6-morpholino-7H-purin-2-yl]oxy]benzonitrile CAS Name: 4-[[8-(3-methylanilino)-6-(4-morpholinyl)-7H-purin-2-yl]oxy]benzonitrile IUPAC Name: 4-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]oxy]benzonitrile Traditional Name: 4-[[6-morpholino-8-(m-toluidino)-7H-purin-2-yl]oxy]benzonitrile Formula: C23H21N7O2 MolecularWeight: 427.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OC4=CC=C(C=C4)C#N)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OC4=CC=C(C=C4)C#N)N5CCOCC5

InChI

InChI=1S/C23H21N7O2/c1-15-3-2-4-17(13-15)25-22-26-19-20(27-22)28-23(29-21(19)30-9-11-31-12-10-30)32-18-7-5-16(14-24)6-8-18/h2-8,13H,9-12H2,1H3,(H2,25,26,27,28,29)