[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl]sulfanylphosphonic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl]sulfanylphosphonic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl]sulfanylphosphonic acid CAS Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl]thio]phosphonic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl]sulfanylphosphonic acid Traditional Name: [[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl]thio]phosphonic acid Formula: C9H14N5O6PS MolecularWeight: 351.276121

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CO)CSP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COC(CO)CSP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H14N5O6PS/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-22-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)