6-[[3-(4,6-dimethoxypyridin-3-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(4,6-dimethoxypyridin-3-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(4,6-dimethoxy-3-pyridyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(4,6-dimethoxy-3-pyridinyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(4,6-dimethoxypyridin-3-yl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(4,6-dimethoxy-3-pyridyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C23H23N7O3 MolecularWeight: 445.47382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N)OC

Isomeric SMILES

COC1=CC(=NC=C1C2=CC(=CC=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N)OC

InChI

InChI=1S/C23H23N7O3/c1-32-18-10-20(33-2)25-13-17(18)16-6-3-5-15(9-16)12-26-22-21-23(29-19(11-24)28-22)30(14-27-21)7-4-8-31/h3,5-6,9-10,13-14,31H,4,7-8,12H2,1-2H3,(H,26,28,29)