[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxymethyl]-3-oxidanyl-propoxy]methyl-ethoxy-phosphinic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxymethyl]-3-oxidanyl-propoxy]methyl-ethoxy-phosphinic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxymethyl]-3-hydroxy-propoxy]methyl-ethoxy-phosphinic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxymethyl]-3-hydroxypropoxy]methyl-ethoxyphosphinic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxymethyl]-3-hydroxypropoxy]methyl-ethoxyphosphinic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)oxymethyl]-3-hydroxy-propoxy]methyl-ethoxy-phosphinic acid Formula: C12H20N5O7P MolecularWeight: 377.290261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCC(CO)CON1C=NC2=C1NC(=NC2=O)N)O

Isomeric SMILES

CCOP(=O)(COCC(CO)CON1C=NC2=C1NC(=NC2=O)N)O

InChI

InChI=1S/C12H20N5O7P/c1-2-24-25(20,21)7-22-4-8(3-18)5-23-17-6-14-9-10(17)15-12(13)16-11(9)19/h6,8,18H,2-5,7H2,1H3,(H,20,21)(H3,13,15,16,19)