6-azanyl-2-(butylamino)-9-[(6-piperazin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(6-piperazin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(6-piperazin-1-yl-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[[6-(1-piperazinyl)-3-pyridinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(6-piperazin-1-ylpyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(6-piperazino-3-pyridyl)methyl]-7H-purin-8-one Formula: C19H27N9O MolecularWeight: 397.47738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCNCC4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)N4CCNCC4

InChI

InChI=1S/C19H27N9O/c1-2-3-6-22-18-25-16(20)15-17(26-18)28(19(29)24-15)12-13-4-5-14(23-11-13)27-9-7-21-8-10-27/h4-5,11,21H,2-3,6-10,12H2,1H3,(H,24,29)(H3,20,22,25,26)