6-[[3-(1H-indol-5-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(1H-indol-5-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(1H-indol-5-yl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[3-(1H-indol-5-yl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[[3-(1H-indol-5-yl)phenyl]methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(1H-indol-5-yl)benzyl]amino]purine-2-carbonitrile Formula: C24H21N7O MolecularWeight: 423.46984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC5=C(C=C4)NC=C5

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C24H21N7O/c25-13-21-29-23(22-24(30-21)31(15-28-22)9-2-10-32)27-14-16-3-1-4-17(11-16)18-5-6-20-19(12-18)7-8-26-20/h1,3-8,11-12,15,26,32H,2,9-10,14H2,(H,27,29,30)