5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentyl-[[ethoxy(oxidanyl)phosphoryl]methyl]phosphinic acid

Systemtic Name: 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentyl-[[ethoxy(oxidanyl)phosphoryl]methyl]phosphinic acid Openeye Name: 5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-[[ethoxy(hydroxy)phosphoryl]methyl]phosphinic acid CAS Name: 5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-[[ethoxy(hydroxy)phosphoryl]methyl]phosphinic acid IUPAC Name: 5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-[[ethoxy(hydroxy)phosphoryl]methyl]phosphinic acid Traditional Name: 5-(2-amino-6-keto-3H-purin-9-yl)pentyl-[[ethoxy(hydroxy)phosphoryl]methyl]phosphinic acid Formula: C13H23N5O6P2 MolecularWeight: 407.299142

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CP(=O)(CCCCCN1C=NC2=C1NC(=NC2=O)N)O)O

Isomeric SMILES

CCOP(=O)(CP(=O)(CCCCCN1C=NC2=C1NC(=NC2=O)N)O)O

InChI

InChI=1S/C13H23N5O6P2/c1-2-24-26(22,23)9-25(20,21)7-5-3-4-6-18-8-15-10-11(18)16-13(14)17-12(10)19/h8H,2-7,9H2,1H3,(H,20,21)(H,22,23)(H3,14,16,17,19)