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

Systemtic Name: 5-[(6-butyl-4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(6-butyl-2-isopropyl-4-oxo-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(6-butyl-4-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(6-butyl-4-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(6-butyl-2-isopropyl-4-keto-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)C(C)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

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