[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4,4-diethoxy-butyl] octadecanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4,4-diethoxy-butyl] octadecanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4,4-diethoxy-butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4,4-diethoxybutyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4,4-diethoxybutyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4,4-diethoxy-butyl] ester Formula: C32H57N5O5 MolecularWeight: 591.82548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(OCC)OCC)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(OCC)OCC)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C32H57N5O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(38)42-24-26(22-28(40-5-2)41-6-3)23-37-25-34-29-30(37)35-32(33)36-31(29)39/h25-26,28H,4-24H2,1-3H3,(H3,33,35,36,39)