2-butyl-5-ethyl-6-methyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one

Systemtic Name: 2-butyl-5-ethyl-6-methyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one Openeye Name: 2-butyl-5-ethyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one CAS Name: 2-butyl-5-ethyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyrimidinone IUPAC Name: 2-butyl-5-ethyl-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one Traditional Name: 2-butyl-5-ethyl-6-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrimidin-4-one Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC)C

Isomeric SMILES

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC)C

InChI

InChI=1S/C25H28N6O/c1-4-6-11-23-26-17(3)20(5-2)25(32)31(23)16-18-12-14-19(15-13-18)21-9-7-8-10-22(21)24-27-29-30-28-24/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,27,28,29,30)