2-[5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-acetic acid CAS Name: 2-[5-(6-amino-2-chloro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyacetic acid IUPAC Name: 2-[5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid Traditional Name: 2-[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-acetic acid Formula: C11H12ClN5O6 MolecularWeight: 345.69588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)C(C(=O)O)O)O)O)N=C(N=C2N)Cl

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)C(C(=O)O)O)O)O)N=C(N=C2N)Cl

InChI

InChI=1S/C11H12ClN5O6/c12-11-15-7(13)2-8(16-11)17(1-14-2)9-4(19)3(18)6(23-9)5(20)10(21)22/h1,3-6,9,18-20H,(H,21,22)(H2,13,15,16)