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

Systemtic Name: 6-butyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-1H-pyrimidin-4-one Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=CN1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

CCCCC1=C(C(=O)N=CN1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

InChI=1S/C22H22N6O/c1-2-3-9-20-19(22(29)24-14-23-20)13-15-10-11-17(16-7-5-4-6-8-16)18(12-15)21-25-27-28-26-21/h4-8,10-12,14H,2-3,9,13H2,1H3,(H,23,24,29)(H,25,26,27,28)