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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; 3-decylsulfonyldodecan-2-yloxy propyl hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (2-decylsulfonyl-1-methyl-undecoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-decylsulfonyldodecan-2-yloxy propyl hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; 3-decylsulfonyldodecan-2-yloxy propyl hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (2-decylsulfonyl-1-methyl-undecoxy) propyl hydrogen phosphate Formula: C33H64N5O9PS MolecularWeight: 737.928121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCS(=O)(=O)C(CCCCCCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCS(=O)(=O)C(CCCCCCCCC)C(C)OOP(=O)(O)OCCC.CCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C25H53O7PS.C8H11N5O2/c1-5-8-10-12-14-16-18-20-23-34(28,29)25(21-19-17-15-13-11-9-6-2)24(4)31-32-33(26,27)30-22-7-3;1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h24-25H,5-23H2,1-4H3,(H,26,27);3H,2,4H2,1H3,(H3,9,11,12,14)