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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; 3-dodecylsulfanylundecan-2-yloxy propyl hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (2-dodecylsulfanyl-1-methyl-decoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-(dodecylthio)undecan-2-yloxy propyl hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-dodecylsulfanylundecan-2-yloxy propyl hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; [2-(laurylthio)-1-methyl-decoxy] propyl hydrogen phosphate Formula: C34H66N5O7PS MolecularWeight: 719.955901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H55O5PS.C8H11N5O2/c1-5-8-10-12-14-15-16-17-19-21-24-33-26(22-20-18-13-11-9-6-2)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)