9-(3-oxidanylpropyl)-6-[(4-pyridin-3-ylphenyl)methylamino]purine-2-carbonitrile

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(4-pyridin-3-ylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[4-(3-pyridyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[4-(3-pyridinyl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(4-pyridin-3-ylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[4-(3-pyridyl)benzyl]amino]purine-2-carbonitrile Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7O/c22-11-18-26-20(19-21(27-18)28(14-25-19)9-2-10-29)24-12-15-4-6-16(7-5-15)17-3-1-8-23-13-17/h1,3-8,13-14,29H,2,9-10,12H2,(H,24,26,27)