2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; 3-pentadecylsulfanyldecan-2-yloxy propyl hydrogen phosphate

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; 3-pentadecylsulfanyldecan-2-yloxy propyl hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (1-methyl-2-pentadecylsulfanyl-nonoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-(pentadecylthio)decan-2-yloxy propyl hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-pentadecylsulfanyldecan-2-yloxy propyl hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; [1-methyl-2-(pentadecylthio)nonoxy] propyl hydrogen phosphate Formula: C36H70N5O7PS MolecularWeight: 748.009061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCSC(CCCCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C28H59O5PS.C8H11N5O2/c1-5-8-10-12-13-14-15-16-17-18-19-21-23-26-35-28(24-22-20-11-9-6-2)27(4)32-33-34(29,30)31-25-7-3;1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h27-28H,5-26H2,1-4H3,(H,29,30);3H,2,4H2,1H3,(H3,9,11,12,14)