9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methyl-hexa-2,3-dienyl]purin-6-amine

Systemtic Name: 9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methyl-hexa-2,3-dienyl]purin-6-amine Openeye Name: 9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methyl-hexa-2,3-dienyl]purin-6-amine CAS Name: 9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methylhexa-2,3-dienyl]-6-purinamine IUPAC Name: 9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methylhexa-2,3-dienyl]purin-6-amine Traditional Name: [9-[4-diethoxyphosphoryl-6-(1-ethoxyethoxy)-2-methyl-hexa-2,3-dienyl]purin-6-yl]amine Formula: C20H32N5O5P MolecularWeight: 453.472341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OCCC(=C=C(C)CN1C=NC2=C1N=CN=C2N)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(C)OCCC(=C=C(C)CN1C=NC2=C1N=CN=C2N)P(=O)(OCC)OCC

InChI

InChI=1S/C20H32N5O5P/c1-6-27-16(5)28-10-9-17(31(26,29-7-2)30-8-3)11-15(4)12-25-14-24-18-19(21)22-13-23-20(18)25/h13-14,16H,6-10,12H2,1-5H3,(H2,21,22,23)