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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-undecylsulfanyldecan-2-yloxy hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (1-methyl-2-undecylsulfanyl-nonoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-(undecylthio)decan-2-yloxy hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-undecylsulfanyldecan-2-yloxy hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; [1-methyl-2-(undecylthio)nonoxy] propyl hydrogen phosphate Formula: C32H62N5O7PS MolecularWeight: 691.902741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H51O5PS.C8H11N5O2/c1-5-8-10-12-13-14-15-17-19-22-31-24(20-18-16-11-9-6-2)23(4)28-29-30(25,26)27-21-7-3;1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h23-24H,5-22H2,1-4H3,(H,25,26);3H,2,4H2,1H3,(H3,9,11,12,14)