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

Systemtic Name: [2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C10H17N5O8P2S MolecularWeight: 429.283202

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1C(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=S)N

InChI

InChI=1S/C10H17N5O8P2S/c11-10-13-8-7(9(26)14-10)12-3-15(8)6(1-22-4-24(16,17)18)2-23-5-25(19,20)21/h3,6H,1-2,4-5H2,(H2,16,17,18)(H2,19,20,21)(H3,11,13,14,26)