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

Systemtic Name: 9-(3-oxidanylpropyl)-6-[[3-(2-propan-2-yloxyphenyl)phenyl]methylamino]purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(2-isopropoxyphenyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[3-(2-propan-2-yloxyphenyl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[[3-(2-propan-2-yloxyphenyl)phenyl]methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(2-isopropoxyphenyl)benzyl]amino]purine-2-carbonitrile Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

InChI

InChI=1S/C25H26N6O2/c1-17(2)33-21-10-4-3-9-20(21)19-8-5-7-18(13-19)15-27-24-23-25(30-22(14-26)29-24)31(16-28-23)11-6-12-32/h3-5,7-10,13,16-17,32H,6,11-12,15H2,1-2H3,(H,27,29,30)