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

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

Isomeric SMILES

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

InChI

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