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

Systemtic Name: [2-[(6-aminopurin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-[(6-aminopurin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-[(6-aminopurin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-[(6-aminopurin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-(adenin-9-ylmethyl)-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C11H19N5O8P2 MolecularWeight: 411.244782

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C11H19N5O8P2/c12-10-9-11(14-4-13-10)16(5-15-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)