[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] icosanoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] icosanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] icosanoate CAS Name: eicosanoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] icosanoate Traditional Name: arachidic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-pentanoyl)oxy-butyl] ester Formula: C36H64N6O5 MolecularWeight: 660.93056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C36H64N6O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(43)47-26-29(23-24-46-35(45)31(37)28(3)5-2)25-42-27-39-32-33(42)40-36(38)41-34(32)44/h27-29,31H,4-26,37H2,1-3H3,(H3,38,40,41,44)