3-chloranyl-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)-6-purinyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[[9-ethyl-2-(2-hydroxyethylamino)purin-6-yl]amino]phenyl]benzamide Formula: C22H22ClN7O2 MolecularWeight: 451.90878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)NCCO

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)NCCO

InChI

InChI=1S/C22H22ClN7O2/c1-2-30-13-25-18-19(28-22(24-10-11-31)29-20(18)30)26-16-6-8-17(9-7-16)27-21(32)14-4-3-5-15(23)12-14/h3-9,12-13,31H,2,10-11H2,1H3,(H,27,32)(H2,24,26,28,29)