5-methyl-7-phenyl-N-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

Systemtic Name: 5-methyl-7-phenyl-N-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Openeye Name: 5-methyl-7-phenyl-N-(2-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide CAS Name: 5-methyl-7-phenyl-N-(2-pyridinyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide IUPAC Name: 5-methyl-7-phenyl-N-pyridin-2-yl-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Traditional Name: 5-methyl-7-phenyl-N-(2-pyridyl)-4,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Formula: C18H17N6O+ MolecularWeight: 333.36718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=C3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=CN2)C3=CC=CC=C3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C18H16N6O/c1-12-15(17(25)23-14-9-5-6-10-19-14)16(13-7-3-2-4-8-13)24-18(22-12)20-11-21-24/h2-11,16H,1H3,(H2,19,20,21,22,23,25)/p+1