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

Systemtic Name: 6-butyl-2,3-diethyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one Openeye Name: 6-butyl-2,3-diethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one CAS Name: 6-butyl-2,3-diethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-pyrimidinone IUPAC Name: 6-butyl-2,3-diethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one Traditional Name: 6-butyl-2,3-diethyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]pyrimidin-4-one Formula: C26H30N6O MolecularWeight: 442.556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O/c1-4-7-13-23-22(26(33)32(6-3)24(5-2)27-23)17-18-14-15-20(19-11-9-8-10-12-19)21(16-18)25-28-30-31-29-25/h8-12,14-16H,4-7,13,17H2,1-3H3,(H,28,29,30,31)