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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; 3-dodecylsulfanyloctan-2-yloxy propyl hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (2-dodecylsulfanyl-1-methyl-heptoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-(dodecylthio)octan-2-yloxy propyl hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-dodecylsulfanyloctan-2-yloxy propyl hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; [2-(laurylthio)-1-methyl-heptoxy] propyl hydrogen phosphate Formula: C31H60N5O7PS MolecularWeight: 677.876161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C23H49O5PS.C8H11N5O2/c1-5-8-10-11-12-13-14-15-16-18-21-30-23(19-17-9-6-2)22(4)27-28-29(24,25)26-20-7-3;1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h22-23H,5-21H2,1-4H3,(H,24,25);3H,2,4H2,1H3,(H3,9,11,12,14)