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

Systemtic Name: 6-butyl-3-methyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one Openeye Name: 6-butyl-3-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one CAS Name: 6-butyl-3-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-4-pyrimidinone IUPAC Name: 6-butyl-3-methyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylpyrimidin-4-one Traditional Name: 6-butyl-3-methyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2-propyl-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)CCC)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

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

InChI

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