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

Systemtic Name: 6-butyl-3-ethyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one Openeye Name: 6-butyl-3-ethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one CAS Name: 6-butyl-3-ethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-4-pyrimidinone IUPAC Name: 6-butyl-3-ethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylpyrimidin-4-one Traditional Name: 6-butyl-3-ethyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2-propyl-pyrimidin-4-one Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O/c1-4-7-14-24-23(27(34)33(6-3)25(28-24)11-5-2)18-19-15-16-21(20-12-9-8-10-13-20)22(17-19)26-29-31-32-30-26/h8-10,12-13,15-17H,4-7,11,14,18H2,1-3H3,(H,29,30,31,32)