[2-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-adenin-9-yl-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C10H17N5O8P2 MolecularWeight: 397.218202

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C10H17N5O8P2/c11-9-8-10(13-3-12-9)15(4-14-8)7(1-22-5-24(16,17)18)2-23-6-25(19,20)21/h3-4,7H,1-2,5-6H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)