5-methylidene-N-phenyl-7-pyridin-1-ium-3-yl-2-pyridin-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methylidene-N-phenyl-7-pyridin-1-ium-3-yl-2-pyridin-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methylene-N-phenyl-7-pyridin-1-ium-3-yl-2-(3-pyridyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methylene-N-phenyl-7-(3-pyridin-1-iumyl)-2-(3-pyridinyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methylidene-N-phenyl-7-pyridin-1-ium-3-yl-2-pyridin-3-yl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methylene-N-phenyl-7-pyridin-1-ium-3-yl-2-(3-pyridyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C23H20N7O+ MolecularWeight: 410.4512

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(N2C(=N1)N=C(N2)C3=CN=CC=C3)C4=C[NH+]=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(N2C(=N1)N=C(N2)C3=CN=CC=C3)C4=C[NH+]=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C23H19N7O/c1-15-19(22(31)27-18-9-3-2-4-10-18)20(16-7-5-11-24-13-16)30-23(26-15)28-21(29-30)17-8-6-12-25-14-17/h2-14,19-20H,1H2,(H,27,31)(H,26,28,29)/p+1