[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl]-ethoxy-phosphinic acid

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl]-ethoxy-phosphinic acid Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-butyl]-ethoxy-phosphinic acid CAS Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl]-ethoxyphosphinic acid IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl]-ethoxyphosphinic acid Traditional Name: [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-butyl]-ethoxy-phosphinic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(CN1C=NC2=C1NC(=NC2=O)N)CO)O

Isomeric SMILES

CCOP(=O)(CCC(CN1C=NC2=C1NC(=NC2=O)N)CO)O

InChI

InChI=1S/C12H20N5O5P/c1-2-22-23(20,21)4-3-8(6-18)5-17-7-14-9-10(17)15-12(13)16-11(9)19/h7-8,18H,2-6H2,1H3,(H,20,21)(H3,13,15,16,19)