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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridyl]methyl]-7H-purin-8-one Formula: C21H32N8O2 MolecularWeight: 428.53118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N8O2/c1-4-5-10-23-20-26-18(22)17-19(27-20)29(21(30)25-17)14-15-8-9-16(24-13-15)31-12-7-6-11-28(2)3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,25,30)(H3,22,23,26,27)