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

Systemtic Name: [2-[(2-azanyl-6-methyl-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate Openeye Name: [2-[(2-amino-6-methyl-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-methyl-9-purinyl)methyl]-4-(2,3-dimethyl-1-oxobutoxy)butyl] ester IUPAC Name: [2-[(2-amino-6-methylpurin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-methyl-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] ester Formula: C35H61N5O4 MolecularWeight: 615.88994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C)C(C)C)CN1C=NC2=C(N=C(N=C21)N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C)C(C)C)CN1C=NC2=C(N=C(N=C21)N)C

InChI

InChI=1S/C35H61N5O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(41)44-25-30(22-23-43-34(42)28(4)27(2)3)24-40-26-37-32-29(5)38-35(36)39-33(32)40/h26-28,30H,6-25H2,1-5H3,(H2,36,38,39)