3-bromanyl-N-[(6-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-N-[(6-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-N-[(6-ethoxy-1-oxido-3-pyridin-1-iumyl)methyl]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-N-[(6-ethoxy-1-oxidopyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-[(6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl]amine Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H18BrN5O2/c1-2-28-19-9-8-14(13-25(19)27)11-22-18-10-17(15-6-4-3-5-7-15)24-20-16(21)12-23-26(18)20/h3-10,12-13,22H,2,11H2,1H3