6-azanyl-2-butoxy-9-[7-(4-pyridin-4-ylpiperazin-1-yl)heptyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[7-(4-pyridin-4-ylpiperazin-1-yl)heptyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[7-[4-(4-pyridyl)piperazin-1-yl]heptyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[7-(4-pyridin-4-yl-1-piperazinyl)heptyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[7-(4-pyridin-4-ylpiperazin-1-yl)heptyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[7-[4-(4-pyridyl)piperazino]heptyl]-7H-purin-8-one Formula: C25H38N8O2 MolecularWeight: 482.62162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C25H38N8O2/c1-2-3-19-35-24-29-22(26)21-23(30-24)33(25(34)28-21)14-8-6-4-5-7-13-31-15-17-32(18-16-31)20-9-11-27-12-10-20/h9-12H,2-8,13-19H2,1H3,(H,28,34)(H2,26,29,30)