5-[(6-butyl-4-oxidanylidene-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(6-butyl-4-oxidanylidene-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(6-butyl-4-oxo-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(6-butyl-4-oxo-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(6-butyl-4-oxo-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(6-butyl-4-keto-2-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O/c1-3-5-12-23-22(25(29)28-24(27-23)9-4-2)16-18-13-14-21(20(15-18)17-26)19-10-7-6-8-11-19/h6-8,10-11,13-15H,3-5,9,12,16H2,1-2H3,(H,27,28,29)