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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-(3-tridecylsulfanyldecan-2-yloxy)propyl hydrogen phosphate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-(1-methyl-2-tridecylsulfanyl-nonoxy)propyl hydrogen phosphate CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-[3-(tridecylthio)decan-2-yloxy]propyl hydrogen phosphate IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-(3-tridecylsulfanyldecan-2-yloxy)propyl hydrogen phosphate Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl 3-[1-methyl-2-(tridecylthio)nonoxy]propyl hydrogen phosphate Formula: C34H64N5O7PS MolecularWeight: 717.940021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC(CCCCCCC)C(C)OCCCOP(=O)(O)OCCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCSC(CCCCCCC)C(C)OCCCOP(=O)(O)OCCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C34H64N5O7PS/c1-4-6-8-10-11-12-13-14-15-17-19-26-48-30(21-18-16-9-7-5-2)29(3)44-22-20-23-45-47(41,42)46-25-24-43-28-39-27-36-31-32(39)37-34(35)38-33(31)40/h27,29-30H,4-26,28H2,1-3H3,(H,41,42)(H3,35,37,38,40)