6-azanyl-2-butoxy-9-[7-[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]heptyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[7-[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]heptyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[7-[4-(4-chloro-2-methyl-phenoxy)-1-piperidyl]heptyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[7-[4-(4-chloro-2-methylphenoxy)-1-piperidinyl]heptyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[7-[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]heptyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[7-[4-(4-chloro-2-methyl-phenoxy)piperidino]heptyl]-7H-purin-8-one Formula: C28H41ClN6O3 MolecularWeight: 545.11654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCC(CC3)OC4=C(C=C(C=C4)Cl)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCC(CC3)OC4=C(C=C(C=C4)Cl)C

InChI

InChI=1S/C28H41ClN6O3/c1-3-4-18-37-27-32-25(30)24-26(33-27)35(28(36)31-24)15-9-7-5-6-8-14-34-16-12-22(13-17-34)38-23-11-10-21(29)19-20(23)2/h10-11,19,22H,3-9,12-18H2,1-2H3,(H,31,36)(H2,30,32,33)