5-but-3-enyl-7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-but-3-enyl-7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Openeye Name: 5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine CAS Name: 5-but-3-enyl-7-[(1-oxido-4-pyridin-1-iumyl)methoxy]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Traditional Name: 5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=NC2=CC=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C=CCCC1=NC2=CC=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H16N4O2/c1-2-3-4-14-11-16(20-15(18-14)5-8-17-20)22-12-13-6-9-19(21)10-7-13/h2,5-11H,1,3-4,12H2