6-[(3-naphthalen-2-ylphenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[(3-naphthalen-2-ylphenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(2-naphthyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[3-(2-naphthalenyl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(3-naphthalen-2-ylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(2-naphthyl)benzyl]amino]purine-2-carbonitrile Formula: C26H22N6O MolecularWeight: 434.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)CNC4=NC(=NC5=C4N=CN5CCCO)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)CNC4=NC(=NC5=C4N=CN5CCCO)C#N

InChI

InChI=1S/C26H22N6O/c27-15-23-30-25(24-26(31-23)32(17-29-24)11-4-12-33)28-16-18-5-3-8-20(13-18)22-10-9-19-6-1-2-7-21(19)14-22/h1-3,5-10,13-14,17,33H,4,11-12,16H2,(H,28,30,31)