[2-oxidanyl-3-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid

Systemtic Name: [2-oxidanyl-3-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid Openeye Name: [2-hydroxy-3-(6-thioxo-3H-purin-9-yl)propoxy]methylphosphonic acid CAS Name: [2-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid IUPAC Name: [2-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propoxy]methylphosphonic acid Traditional Name: [2-hydroxy-3-(6-thioxo-3H-purin-9-yl)propoxy]methylphosphonic acid Formula: C9H13N4O5PS MolecularWeight: 320.262081

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CC(COCP(=O)(O)O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CC(COCP(=O)(O)O)O

InChI

InChI=1S/C9H13N4O5PS/c14-6(2-18-5-19(15,16)17)1-13-4-12-7-8(13)10-3-11-9(7)20/h3-4,6,14H,1-2,5H2,(H,10,11,20)(H2,15,16,17)