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

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(3-phenylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[(3-phenylphenyl)methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[(3-phenylphenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(3-phenylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[(3-phenylbenzyl)amino]purine-2-carbonitrile Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O/c23-13-19-26-21(20-22(27-19)28(15-25-20)10-5-11-29)24-14-16-6-4-9-18(12-16)17-7-2-1-3-8-17/h1-4,6-9,12,15,29H,5,10-11,14H2,(H,24,26,27)