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

Systemtic Name: 6-[[3-[3-(dimethylamino)phenyl]phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-[3-(dimethylamino)phenyl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-[3-(dimethylamino)phenyl]phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-[3-(dimethylamino)phenyl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-[3-(dimethylamino)phenyl]benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C24H25N7O MolecularWeight: 427.5016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N7O/c1-30(2)20-9-4-8-19(13-20)18-7-3-6-17(12-18)15-26-23-22-24(29-21(14-25)28-23)31(16-27-22)10-5-11-32/h3-4,6-9,12-13,16,32H,5,10-11,15H2,1-2H3,(H,26,28,29)