2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (Z,12R)-12-(2-azanyl-3-methyl-butanoyl)oxyoctadec-9-enoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (Z,12R)-12-(2-azanyl-3-methyl-butanoyl)oxyoctadec-9-enoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (Z,12R)-12-(2-amino-3-methyl-butanoyl)oxyoctadec-9-enoate CAS Name: (Z,12R)-12-(2-amino-3-methyl-1-oxobutoxy)-9-octadecenoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (Z,12R)-12-(2-amino-3-methylbutanoyl)oxyoctadec-9-enoate Traditional Name: (Z,12R)-12-(2-amino-3-methyl-butanoyl)oxyoctadec-9-enoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C31H52N6O6 MolecularWeight: 604.78118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)OC(=O)C(C(C)C)N

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)OC(=O)C(C(C)C)N

InChI

InChI=1S/C31H52N6O6/c1-4-5-6-13-16-24(43-30(40)26(32)23(2)3)17-14-11-9-7-8-10-12-15-18-25(38)42-20-19-41-22-37-21-34-27-28(37)35-31(33)36-29(27)39/h11,14,21,23-24,26H,4-10,12-13,15-20,22,32H2,1-3H3,(H3,33,35,36,39)/b14-11-/t24-,26?/m1/s1