[2-(6-aminopurin-9-yl)-2-(2-hydroxyethylsulfanyl)ethyl]phosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-2-(2-hydroxyethylsulfanyl)ethyl]phosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-2-(2-hydroxyethylsulfanyl)ethyl]phosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-2-(2-hydroxyethylthio)ethyl]phosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-2-(2-hydroxyethylsulfanyl)ethyl]phosphonic acid Traditional Name: [2-adenin-9-yl-2-(2-hydroxyethylthio)ethyl]phosphonic acid Formula: C9H14N5O4PS MolecularWeight: 319.277321

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CP(=O)(O)O)SCCO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CP(=O)(O)O)SCCO

InChI

InChI=1S/C9H14N5O4PS/c10-8-7-9(12-4-11-8)14(5-13-7)6(20-2-1-15)3-19(16,17)18/h4-6,15H,1-3H2,(H2,10,11,12)(H2,16,17,18)