6-[[3-(2-methylphenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(2-methylphenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(o-tolyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[3-(2-methylphenyl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[[3-(2-methylphenyl)phenyl]methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(o-tolyl)benzyl]amino]purine-2-carbonitrile Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

InChI

InChI=1S/C23H22N6O/c1-16-6-2-3-9-19(16)18-8-4-7-17(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-5-11-30/h2-4,6-9,12,15,30H,5,10-11,14H2,1H3,(H,25,27,28)