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

Systemtic Name: 6-azanyl-2-butoxy-9-[[6-(2-morpholin-4-ylethoxy)pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[6-(2-morpholinoethoxy)-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[6-[2-(4-morpholinyl)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[6-(2-morpholin-4-ylethoxy)pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[[6-(2-morpholinoethoxy)-3-pyridyl]methyl]-7H-purin-8-one Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCOCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCOCC4

InChI

InChI=1S/C21H29N7O4/c1-2-3-9-32-20-25-18(22)17-19(26-20)28(21(29)24-17)14-15-4-5-16(23-13-15)31-12-8-27-6-10-30-11-7-27/h4-5,13H,2-3,6-12,14H2,1H3,(H,24,29)(H2,22,25,26)