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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-(dimethylamino)pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-(dimethylamino)-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-(dimethylamino)-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-(dimethylamino)pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-(dimethylamino)-3-pyridyl]methyl]-7H-purin-8-one Formula: C17H24N8O MolecularWeight: 356.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N8O/c1-4-5-8-19-16-22-14(18)13-15(23-16)25(17(26)21-13)10-11-6-7-12(20-9-11)24(2)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,26)(H3,18,19,22,23)