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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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