9-[(4-bromanyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[(4-bromanyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(4-bromo-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(4-bromo-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-6-chloropurin-2-amine Traditional Name: [9-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-6-chloro-purin-2-yl]amine Formula: C13H12BrClN6O MolecularWeight: 383.63098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1Br)C)CN2C=NC3=C2N=C(N=C3Cl)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1Br)C)CN2C=NC3=C2N=C(N=C3Cl)N)[O-]

InChI

InChI=1S/C13H12BrClN6O/c1-6-3-21(22)8(7(2)9(6)14)4-20-5-17-10-11(15)18-13(16)19-12(10)20/h3,5H,4H2,1-2H3,(H2,16,18,19)