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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O/c1-4-6-12-24-23(25(29)28(5-2)18(3)27-24)16-19-13-14-22(21(15-19)17-26)20-10-8-7-9-11-20/h7-11,13-15H,4-6,12,16H2,1-3H3