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

Systemtic Name: 6-butyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2,3-dipropyl-pyrimidin-4-one Openeye Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dipropyl-pyrimidin-4-one CAS Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dipropyl-4-pyrimidinone IUPAC Name: 6-butyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dipropylpyrimidin-4-one Traditional Name: 6-butyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2,3-dipropyl-pyrimidin-4-one Formula: C28H34N6O MolecularWeight: 470.60916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O/c1-4-7-14-25-24(28(35)34(17-6-3)26(29-25)11-5-2)19-20-15-16-22(21-12-9-8-10-13-21)23(18-20)27-30-32-33-31-27/h8-10,12-13,15-16,18H,4-7,11,14,17,19H2,1-3H3,(H,30,31,32,33)