3-[[9-ethyl-2-(4-oxidanylpiperidin-1-yl)purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[9-ethyl-2-(4-oxidanylpiperidin-1-yl)purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-(4-hydroxy-1-piperidyl)purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-(4-hydroxy-1-piperidinyl)-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-(4-hydroxypiperidin-1-yl)purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-(4-hydroxypiperidino)purin-6-yl]amino]benzonitrile Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)N4CCC(CC4)O

InChI

InChI=1S/C19H21N7O/c1-2-25-12-21-16-17(22-14-5-3-4-13(10-14)11-20)23-19(24-18(16)25)26-8-6-15(27)7-9-26/h3-5,10,12,15,27H,2,6-9H2,1H3,(H,22,23,24)