[4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] octadecanoate hydrochloride

Systemtic Name: [4-(2-azanyl-3-methyl-butanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] octadecanoate hydrochloride Openeye Name: [4-(2-amino-3-methyl-butanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] octadecanoate hydrochloride CAS Name: octadecanoic acid [4-(2-amino-3-methyl-1-oxobutoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester hydrochloride IUPAC Name: [4-(2-amino-3-methylbutanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] octadecanoate hydrochloride Traditional Name: stearic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-butanoyl)oxy-butyl] ester hydrochloride Formula: C33H59ClN6O5 MolecularWeight: 655.31176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)N)CN1C=NC2=C1NC(=NC2=O)N.Cl

InChI

InChI=1S/C33H58N6O5.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(40)44-23-26(20-21-43-32(42)28(34)25(2)3)22-39-24-36-29-30(39)37-33(35)38-31(29)41;/h24-26,28H,4-23,34H2,1-3H3,(H3,35,37,38,41);1H