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

Systemtic Name: [3-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]-ethoxy-phosphinic acid Openeye Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxy-phosphinic acid CAS Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid IUPAC Name: [3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid Traditional Name: [3-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]phenyl]-ethoxy-phosphinic acid Formula: C17H22N5O6P MolecularWeight: 423.360241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)OCCOC)N)NC2=O)O

Isomeric SMILES

CCOP(=O)(C1=CC=CC(=C1)CN2C3=C(C(=NC(=N3)OCCOC)N)NC2=O)O

InChI

InChI=1S/C17H22N5O6P/c1-3-28-29(24,25)12-6-4-5-11(9-12)10-22-15-13(19-17(22)23)14(18)20-16(21-15)27-8-7-26-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,23)(H,24,25)(H2,18,20,21)