5-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methyl-pyrimidin-4-one

Systemtic Name: 5-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methyl-pyrimidin-4-one Openeye Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-ethyl-3-methyl-pyrimidin-4-one CAS Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-2-ethyl-3-methyl-4-pyrimidinone IUPAC Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methylpyrimidin-4-one Traditional Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-ethyl-3-methyl-pyrimidin-4-one Formula: C22H17BrN6O2 MolecularWeight: 477.31338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(=O)N1C)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5

Isomeric SMILES

CCC1=NC=C(C(=O)N1C)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C22H17BrN6O2/c1-3-18-24-11-16(22(30)29(18)2)12-8-9-17-15(10-12)19(23)20(31-17)13-6-4-5-7-14(13)21-25-27-28-26-21/h4-11H,3H2,1-2H3,(H,25,26,27,28)