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

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C10H17N5O9P2 MolecularWeight: 413.217602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N5O9P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6(1-23-4-25(17,18)19)2-24-5-26(20,21)22/h3,6H,1-2,4-5H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)