[3-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]phosphonic acid

Systemtic Name: [3-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]phosphonic acid Openeye Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid CAS Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid IUPAC Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]phosphonic acid Traditional Name: [3-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]phenyl]phosphonic acid Formula: C15H18N5O6P MolecularWeight: 395.307081

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)P(=O)(O)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)P(=O)(O)O

InChI

InChI=1S/C15H18N5O6P/c1-25-5-6-26-14-18-12(16)11-13(19-14)20(15(21)17-11)8-9-3-2-4-10(7-9)27(22,23)24/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,16,18,19)(H2,22,23,24)