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

Systemtic Name: 2-azanyl-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-undecoxydodecan-2-yloxy hydrogen phosphate Openeye Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (1-methyl-2-undecoxy-undecoxy) propyl hydrogen phosphate CAS Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-undecoxydodecan-2-yloxy hydrogen phosphate IUPAC Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; propyl 3-undecoxydodecan-2-yloxy hydrogen phosphate Traditional Name: 2-amino-9-(ethoxymethyl)-3H-purin-6-one; (1-methyl-2-undecoxy-undecoxy) propyl hydrogen phosphate Formula: C34H66N5O8P MolecularWeight: 703.890301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H55O6P.C8H11N5O2/c1-5-8-10-12-14-15-17-19-21-24-29-26(22-20-18-16-13-11-9-6-2)25(4)31-32-33(27,28)30-23-7-3;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)