(phenylmethyl) 2-[4-(2H-1,2,3,4-tetrazol-5-yl)pyrimidin-5-yl]-1H-benzimidazole-4-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(2H-1,2,3,4-tetrazol-5-yl)pyrimidin-5-yl]-1H-benzimidazole-4-carboxylate Openeye Name: benzyl 2-[4-(2H-tetrazol-5-yl)pyrimidin-5-yl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[4-(2H-tetrazol-5-yl)-5-pyrimidinyl]-1H-benzimidazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2H-tetrazol-5-yl)pyrimidin-5-yl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[4-(2H-tetrazol-5-yl)pyrimidin-5-yl]-1H-benzimidazole-4-carboxylic acid benzyl ester Formula: C20H14N8O2 MolecularWeight: 398.37756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CN=CN=C4C5=NNN=N5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CN=CN=C4C5=NNN=N5

InChI

InChI=1S/C20H14N8O2/c29-20(30-10-12-5-2-1-3-6-12)13-7-4-8-15-16(13)24-18(23-15)14-9-21-11-22-17(14)19-25-27-28-26-19/h1-9,11H,10H2,(H,23,24)(H,25,26,27,28)