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

Systemtic Name: 6-azanyl-2-butoxy-9-[7-[4-(4-methoxyphenyl)piperazin-1-yl]heptyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[7-[4-(4-methoxyphenyl)piperazin-1-yl]heptyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[7-[4-(4-methoxyphenyl)-1-piperazinyl]heptyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[7-[4-(4-methoxyphenyl)piperazin-1-yl]heptyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[7-[4-(4-methoxyphenyl)piperazino]heptyl]-7H-purin-8-one Formula: C27H41N7O3 MolecularWeight: 511.65954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N7O3/c1-3-4-20-37-26-30-24(28)23-25(31-26)34(27(35)29-23)15-9-7-5-6-8-14-32-16-18-33(19-17-32)21-10-12-22(36-2)13-11-21/h10-13H,3-9,14-20H2,1-2H3,(H,29,35)(H2,28,30,31)