N-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]-2-bromanyl-ethanamide Openeye Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]-2-bromo-acetamide CAS Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]-2-bromoacetamide IUPAC Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]-2-bromoacetamide Traditional Name: N-[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]-2-bromo-acetamide Formula: C13H11BrN6O2 MolecularWeight: 363.16944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CBr)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CBr)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C13H11BrN6O2/c14-5-9(21)17-7-2-1-3-8(4-7)20-6-16-10-11(20)18-13(15)19-12(10)22/h1-4,6H,5H2,(H,17,21)(H3,15,18,19,22)