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

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

Isomeric SMILES

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

InChI

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