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

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

Isomeric SMILES

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

InChI

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