[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] icosanoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanylpurin-9-yl)methyl]butyl] icosanoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] icosanoate CAS Name: eicosanoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-9-purinyl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] icosanoate Traditional Name: arachidic acid [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-aminopurin-9-yl)methyl]butyl] ester Formula: C36H64N6O4 MolecularWeight: 644.93116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C36H64N6O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(43)46-27-30(23-24-45-35(44)33(37)29(3)5-2)26-42-28-40-31-25-39-36(38)41-34(31)42/h25,28-30,33H,4-24,26-27,37H2,1-3H3,(H2,38,39,41)