5-methyl-7-(4-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide

Systemtic Name: 5-methyl-7-(4-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydro-1H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Openeye Name: 7-(4-benzyloxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-1H-tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide CAS Name: 5-methyl-7-(4-phenylmethoxyphenyl)-N-(3-pyridinyl)-4,7-dihydro-1H-tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide IUPAC Name: 5-methyl-7-(4-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydro-1H-tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Traditional Name: 7-(4-benzoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-1H-tetrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide Formula: C24H22N7O2+ MolecularWeight: 440.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)N=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC5=CN=CC=C5

Isomeric SMILES

CC1=C(C([N+]2=C(N1)N=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C24H21N7O2/c1-16-21(23(32)27-19-8-5-13-25-14-19)22(31-24(26-16)28-29-30-31)18-9-11-20(12-10-18)33-15-17-6-3-2-4-7-17/h2-14,22H,15H2,1H3,(H2,26,27,28,30,32)/p+1