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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=CC=CC(=C2C3=NNN=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=CC=CC(=C2C3=NNN=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O/c1-3-5-15-22-21(26(33)28-23(27-22)16-6-4-2)17-19-13-10-14-20(18-11-8-7-9-12-18)24(19)25-29-31-32-30-25/h7-14H,3-6,15-17H2,1-2H3,(H,27,28,33)(H,29,30,31,32)