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

Systemtic Name: 6-azanyl-2-butoxy-9-[7-[4-(2-phenoxyethyl)piperazin-1-yl]heptyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[7-[4-(2-phenoxyethyl)piperazin-1-yl]heptyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[7-[4-(2-phenoxyethyl)-1-piperazinyl]heptyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[7-[4-(2-phenoxyethyl)piperazin-1-yl]heptyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[7-[4-(2-phenoxyethyl)piperazino]heptyl]-7H-purin-8-one Formula: C28H43N7O3 MolecularWeight: 525.68612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C28H43N7O3/c1-2-3-21-38-27-31-25(29)24-26(32-27)35(28(36)30-24)15-11-6-4-5-10-14-33-16-18-34(19-17-33)20-22-37-23-12-8-7-9-13-23/h7-9,12-13H,2-6,10-11,14-22H2,1H3,(H,30,36)(H2,29,31,32)