2-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]prop-2-enoxymethylphosphonic acid

Systemtic Name: 2-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]prop-2-enoxymethylphosphonic acid Openeye Name: 2-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]allyloxymethylphosphonic acid CAS Name: 2-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]prop-2-enoxymethylphosphonic acid IUPAC Name: 2-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]prop-2-enoxymethylphosphonic acid Traditional Name: 2-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]allyloxymethylphosphonic acid Formula: C13H20N5O7P MolecularWeight: 389.300961

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(=C)COCP(=O)(O)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(=C)COCP(=O)(O)O

InChI

InChI=1S/C13H20N5O7P/c1-8(6-24-7-26(20,21)22)5-18-11-9(15-13(18)19)10(14)16-12(17-11)25-4-3-23-2/h1,3-7H2,2H3,(H,15,19)(H2,14,16,17)(H2,20,21,22)