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

Systemtic Name: [2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate Openeye Name: [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-iodo-9-purinyl)methyl]-4-(2,3-dimethyl-1-oxobutoxy)butyl] ester IUPAC Name: [2-[(2-amino-6-iodopurin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4-(2,3-dimethylbutanoyloxy)butyl] ester Formula: C34H58IN5O4 MolecularWeight: 727.75989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C)C(C)C)CN1C=NC2=C1N=C(N=C2I)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C)C(C)C)CN1C=NC2=C1N=C(N=C2I)N

InChI

InChI=1S/C34H58IN5O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(41)44-24-28(21-22-43-33(42)27(4)26(2)3)23-40-25-37-30-31(35)38-34(36)39-32(30)40/h25-28H,5-24H2,1-4H3,(H2,36,38,39)