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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-tridecylsulfanyldecan-2-yloxy hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (1-methyl-2-tridecylsulfanyl-nonoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-(tridecylthio)decan-2-yloxy hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-tridecylsulfanyldecan-2-yloxy hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; [1-methyl-2-(tridecylthio)nonoxy] propyl hydrogen phosphate Formula: C34H66N5O7PS MolecularWeight: 719.955901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H55O5PS.C8H11N5O2/c1-5-8-10-12-13-14-15-16-17-19-21-24-33-26(22-20-18-11-9-6-2)25(4)30-31-32(27,28)29-23-7-3;1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h25-26H,5-24H2,1-4H3,(H,27,28);3H,2,4H2,1H3,(H3,9,11,12,14)