[2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate

Systemtic Name: [2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate Openeye Name: [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-butyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-iodo-9-purinyl)methyl]-4-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]butyl] ester IUPAC Name: [2-[(2-amino-6-iodopurin-9-yl)methyl]-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybutyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-butyl] ester Formula: C41H63IN6O6 MolecularWeight: 862.87999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)CN2C=NC3=C2N=C(N=C3I)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)CN2C=NC3=C2N=C(N=C3I)N

InChI

InChI=1S/C41H63IN6O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34(49)53-29-33(27-48-30-44-36-37(42)46-40(43)47-38(36)48)25-26-52-39(50)35(31(2)3)45-41(51)54-28-32-22-19-18-20-23-32/h18-20,22-23,30-31,33,35H,4-17,21,24-29H2,1-3H3,(H,45,51)(H2,43,46,47)