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

Systemtic Name: 3,6-dibutyl-5-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one Openeye Name: 3,6-dibutyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-pyrimidin-4-one CAS Name: 3,6-dibutyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propyl-4-pyrimidinone IUPAC Name: 3,6-dibutyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylpyrimidin-4-one Traditional Name: 3,6-dibutyl-5-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2-propyl-pyrimidin-4-one Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O/c1-4-7-15-26-25(29(36)35(18-8-5-2)27(30-26)12-6-3)20-21-16-17-23(22-13-10-9-11-14-22)24(19-21)28-31-33-34-32-28/h9-11,13-14,16-17,19H,4-8,12,15,18,20H2,1-3H3,(H,31,32,33,34)