3-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-butoxy-6-(2-morpholinoethylamino)purin-9-yl]methyl]benzonitrile CAS Name: 3-[[2-butoxy-6-[2-(4-morpholinyl)ethylamino]-9-purinyl]methyl]benzonitrile IUPAC Name: 3-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]benzonitrile Traditional Name: 3-[[2-butoxy-6-(2-morpholinoethylamino)purin-9-yl]methyl]benzonitrile Formula: C23H29N7O2 MolecularWeight: 435.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC=CC(=C4)C#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H29N7O2/c1-2-3-11-32-23-27-21(25-7-8-29-9-12-31-13-10-29)20-22(28-23)30(17-26-20)16-19-6-4-5-18(14-19)15-24/h4-6,14,17H,2-3,7-13,16H2,1H3,(H,25,27,28)