[2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-4-dodecoxy-butyl] nonanoate

Systemtic Name: [2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-4-dodecoxy-butyl] nonanoate Openeye Name: [2-[(2-amino-6-chloro-purin-9-yl)methyl]-4-dodecoxy-butyl] nonanoate CAS Name: nonanoic acid [2-[(2-amino-6-chloro-9-purinyl)methyl]-4-dodecoxybutyl] ester IUPAC Name: [2-[(2-amino-6-chloropurin-9-yl)methyl]-4-dodecoxybutyl] nonanoate Traditional Name: pelargonic acid [2-[(2-amino-6-chloro-purin-9-yl)methyl]-4-lauryloxy-butyl] ester Formula: C31H54ClN5O3 MolecularWeight: 580.24516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC(CN1C=NC2=C1N=C(N=C2Cl)N)COC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOCCC(CN1C=NC2=C1N=C(N=C2Cl)N)COC(=O)CCCCCCCC

InChI

InChI=1S/C31H54ClN5O3/c1-3-5-7-9-11-12-13-14-16-18-21-39-22-20-26(24-40-27(38)19-17-15-10-8-6-4-2)23-37-25-34-28-29(32)35-31(33)36-30(28)37/h25-26H,3-24H2,1-2H3,(H2,33,35,36)