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

Systemtic Name: 5-methylidene-7-pyridin-1-ium-2-yl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methylene-7-pyridin-1-ium-2-yl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-tetrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methylene-7-(2-pyridin-1-iumyl)-N-(3-pyridin-1-iumyl)-6,7-dihydro-1H-tetrazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methylidene-7-pyridin-1-ium-2-yl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-tetrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methylene-7-pyridin-1-ium-2-yl-N-pyridin-1-ium-3-yl-6,7-dihydro-1H-tetrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C16H16N8O+2 MolecularWeight: 336.35124

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(N2C(=N1)N=NN2)C3=CC=CC=[NH+]3)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

C=C1C(C(N2C(=N1)N=NN2)C3=CC=CC=[NH+]3)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C16H14N8O/c1-10-13(15(25)20-11-5-4-7-17-9-11)14(12-6-2-3-8-18-12)24-16(19-10)21-22-23-24/h2-9,13-14H,1H2,(H,20,25)(H,19,21,23)/p+2