6-azanyl-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-7H-purin-8-one Formula: C20H29N9O MolecularWeight: 411.50396

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)N4CCN(CC4)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C20H29N9O/c1-3-4-7-22-19-25-17(21)16-18(26-19)29(20(30)24-16)13-14-5-6-15(23-12-14)28-10-8-27(2)9-11-28/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,24,30)(H3,21,22,25,26)