[1-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxy]-3-oxidanyl-propan-2-yl]sulfanylmethylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxy]-3-oxidanyl-propan-2-yl]sulfanylmethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxymethyl]-2-hydroxy-ethyl]sulfanylmethylphosphonic acid CAS Name: [[1-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxypropan-2-yl]thio]methylphosphonic acid IUPAC Name: [1-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxypropan-2-yl]sulfanylmethylphosphonic acid Traditional Name: [[1-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)oxymethyl]-2-hydroxy-ethyl]thio]methylphosphonic acid Formula: C9H16N5O6PS MolecularWeight: 353.292001

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1OCC(CO)SCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1OCC(CO)SCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O6PS/c10-9-12-7-6(8(16)13-9)11-3-14(7)20-2-5(1-15)22-4-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)