6-[[3-(4-ethenylphenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(4-ethenylphenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(4-vinylphenyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 6-[[3-(4-ethenylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(4-ethenylphenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(4-vinylphenyl)benzyl]amino]purine-2-carbonitrile Formula: C24H22N6O MolecularWeight: 410.47108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O/c1-2-17-7-9-19(10-8-17)20-6-3-5-18(13-20)15-26-23-22-24(29-21(14-25)28-23)30(16-27-22)11-4-12-31/h2-3,5-10,13,16,31H,1,4,11-12,15H2,(H,26,28,29)