N2-(5-chloranyl-2-methyl-phenyl)-5-methyl-6-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

Systemtic Name: N2-(5-chloranyl-2-methyl-phenyl)-5-methyl-6-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine Openeye Name: N2-(5-chloro-2-methyl-phenyl)-5-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine CAS Name: N2-(5-chloro-2-methylphenyl)-5-methyl-6-[(1-oxido-3-pyridin-1-iumyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine IUPAC Name: 2-N-(5-chloro-2-methylphenyl)-5-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine Traditional Name: [7-amino-5-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-(5-chloro-2-methyl-phenyl)amine Formula: C19H18ClN7O MolecularWeight: 395.84552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NN3C(=C(C(=NC3=N2)C)CC4=C[N+](=CC=C4)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NN3C(=C(C(=NC3=N2)C)CC4=C[N+](=CC=C4)[O-])N

InChI

InChI=1S/C19H18ClN7O/c1-11-5-6-14(20)9-16(11)23-18-24-19-22-12(2)15(17(21)27(19)25-18)8-13-4-3-7-26(28)10-13/h3-7,9-10H,8,21H2,1-2H3,(H,23,25)