[3-(6-aminopurin-9-yl)-4-sulfanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(6-aminopurin-9-yl)-4-sulfanyl-butoxy]methylphosphonic acid Openeye Name: [3-(6-aminopurin-9-yl)-4-sulfanyl-butoxy]methylphosphonic acid CAS Name: [3-(6-aminopurin-9-yl)-4-mercaptobutoxy]methylphosphonic acid IUPAC Name: [3-(6-aminopurin-9-yl)-4-sulfanylbutoxy]methylphosphonic acid Traditional Name: (3-adenin-9-yl-4-mercapto-butoxy)methylphosphonic acid Formula: C10H16N5O4PS MolecularWeight: 333.303901

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CCOCP(=O)(O)O)CS

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CCOCP(=O)(O)O)CS

InChI

InChI=1S/C10H16N5O4PS/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-21)1-2-19-6-20(16,17)18/h4-5,7,21H,1-3,6H2,(H2,11,12,13)(H2,16,17,18)