2-(6-aminopurin-9-yl)ethoxymethyl-[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]phosphinic acid Openeye Name: [2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid CAS Name: [2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid IUPAC Name: [2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-(2-amino-3-hydroxy-2-methylol-propoxy)phosphinic acid Formula: C12H21N6O6P MolecularWeight: 376.305501

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(CO)(CO)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(CO)(CO)N

InChI

InChI=1S/C12H21N6O6P/c13-10-9-11(16-6-15-10)18(7-17-9)1-2-23-8-25(21,22)24-5-12(14,3-19)4-20/h6-7,19-20H,1-5,8,14H2,(H,21,22)(H2,13,15,16)