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

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

Isomeric SMILES

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

InChI

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