3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-5-thiophen-2-yl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-bromo-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C16H12BrN5OS MolecularWeight: 402.26838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CS4

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CS4

InChI

InChI=1S/C16H12BrN5OS/c17-12-9-19-22-15(18-8-11-3-1-5-21(23)10-11)7-13(20-16(12)22)14-4-2-6-24-14/h1-7,9-10,18H,8H2