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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]propyl 3-(3-dodecylsulfanylnonan-2-yloxy)propyl hydrogen phosphate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl 3-(2-dodecylsulfanyl-1-methyl-octoxy)propyl hydrogen phosphate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl 3-[3-(dodecylthio)nonan-2-yloxy]propyl hydrogen phosphate IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl 3-(3-dodecylsulfanylnonan-2-yloxy)propyl hydrogen phosphate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]propyl 3-[2-(laurylthio)-1-methyl-octoxy]propyl hydrogen phosphate Formula: C33H62N5O7PS MolecularWeight: 703.913441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCC)C(C)OCCCOP(=O)(O)OCC(C)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCC)C(C)OCCCOP(=O)(O)OCC(C)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C33H62N5O7PS/c1-5-7-9-11-12-13-14-15-16-18-23-47-29(20-17-10-8-6-2)28(4)42-21-19-22-44-46(40,41)45-24-27(3)43-26-38-25-35-30-31(38)36-33(34)37-32(30)39/h25,27-29H,5-24,26H2,1-4H3,(H,40,41)(H3,34,36,37,39)