6-azanyl-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)pyridin-3-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-(2-morpholinoethoxy)-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-[2-(4-morpholinyl)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-(2-morpholinoethoxy)-3-pyridyl]methyl]-7H-purin-8-one Formula: C21H30N8O3 MolecularWeight: 442.5147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCOCC4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCOCC4

InChI

InChI=1S/C21H30N8O3/c1-2-3-6-23-20-26-18(22)17-19(27-20)29(21(30)25-17)14-15-4-5-16(24-13-15)32-12-9-28-7-10-31-11-8-28/h4-5,13H,2-3,6-12,14H2,1H3,(H,25,30)(H3,22,23,26,27)