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

Systemtic Name: 6-[[3-(2,6-dimethylphenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(2,6-dimethylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(2,6-dimethylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(2,6-dimethylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(2,6-dimethylphenyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C24H24N6O MolecularWeight: 412.48696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

InChI

InChI=1S/C24H24N6O/c1-16-6-3-7-17(2)21(16)19-9-4-8-18(12-19)14-26-23-22-24(29-20(13-25)28-23)30(15-27-22)10-5-11-31/h3-4,6-9,12,15,31H,5,10-11,14H2,1-2H3,(H,26,28,29)