3-ethyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-ethyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-ethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-ethyl-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-ethyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O/c1-2-16-13-22-25-19(21-12-15-7-6-10-24(26)14-15)11-18(23-20(16)25)17-8-4-3-5-9-17/h3-11,13-14,21H,2,12H2,1H3