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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

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