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

Systemtic Name: N-[(6-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-[(6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl]-3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-[(6-ethoxy-1-oxido-3-pyridin-1-iumyl)methyl]-3-ethyl-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-[(6-ethoxy-1-oxidopyridin-1-ium-3-yl)methyl]-3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl-(3-ethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-3-17-14-24-27-20(12-19(25-22(17)27)18-8-6-5-7-9-18)23-13-16-10-11-21(29-4-2)26(28)15-16/h5-12,14-15,23H,3-4,13H2,1-2H3