2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-(3-dodecylsulfanyloctan-2-yloxy)propyl hydrogen phosphate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-(3-dodecylsulfanyloctan-2-yloxy)propyl hydrogen phosphate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-(2-dodecylsulfanyl-1-methyl-heptoxy)propyl hydrogen phosphate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-[3-(dodecylthio)octan-2-yloxy]propyl hydrogen phosphate IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-(3-dodecylsulfanyloctan-2-yloxy)propyl hydrogen phosphate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl 3-[2-(laurylthio)-1-methyl-heptoxy]propyl hydrogen phosphate Formula: C31H58N5O7PS MolecularWeight: 675.860281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCC)C(C)OCCCOP(=O)(O)OCCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCC)C(C)OCCCOP(=O)(O)OCCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C31H58N5O7PS/c1-4-6-8-9-10-11-12-13-14-16-23-45-27(18-15-7-5-2)26(3)41-19-17-20-42-44(38,39)43-22-21-40-25-36-24-33-28-29(36)34-31(32)35-30(28)37/h24,26-27H,4-23,25H2,1-3H3,(H,38,39)(H3,32,34,35,37)