2-bromanyl-3-[(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]-6-phenyl-benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-[(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]-6-phenyl-benzenecarbonitrile Openeye Name: 2-bromo-3-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-6-phenyl-benzonitrile CAS Name: 2-bromo-3-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-6-phenylbenzonitrile IUPAC Name: 2-bromo-3-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-6-phenylbenzonitrile Traditional Name: 2-bromo-3-[(2,6-dibutyl-4-keto-1H-pyrimidin-5-yl)methyl]-6-phenyl-benzonitrile Formula: C26H28BrN3O MolecularWeight: 478.42402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=C(C(=C(C=C2)C3=CC=CC=C3)C#N)Br

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=C(C(=C(C=C2)C3=CC=CC=C3)C#N)Br

InChI

InChI=1S/C26H28BrN3O/c1-3-5-12-23-21(26(31)30-24(29-23)13-6-4-2)16-19-14-15-20(22(17-28)25(19)27)18-10-8-7-9-11-18/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,29,30,31)