4-(7H-purin-6-ylamino)benzene-1,2-diol chloride

Systemtic Name: 4-(7H-purin-6-ylamino)benzene-1,2-diol chloride Openeye Name: 4-(7H-purin-6-ylamino)benzene-1,2-diol chloride CAS Name: 4-(7H-purin-6-ylamino)benzene-1,2-diol chloride IUPAC Name: 4-(7H-purin-6-ylamino)benzene-1,2-diol chloride Traditional Name: 4-(7H-purin-6-ylamino)pyrocatechol chloride Formula: C11H9ClN5O2- MolecularWeight: 278.67446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=NC3=C2NC=N3)O)O.[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=C2NC=N3)O)O.[Cl-]

InChI

InChI=1S/C11H9N5O2.ClH/c17-7-2-1-6(3-8(7)18)16-11-9-10(13-4-12-9)14-5-15-11;/h1-5,17-18H,(H2,12,13,14,15,16);1H/p-1