3-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-(2-hydroxyethylamino)-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]benzonitrile Formula: C16H17N7O MolecularWeight: 323.35248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NCCO

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NCCO

InChI

InChI=1S/C16H17N7O/c1-2-23-10-19-13-14(20-12-5-3-4-11(8-12)9-17)21-16(18-6-7-24)22-15(13)23/h3-5,8,10,24H,2,6-7H2,1H3,(H2,18,20,21,22)