3-[[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-bis(fluoranyl)methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]-bis(fluoranyl)methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidin-4-yl)-difluoro-methyl]-5-methyl-benzonitrile CAS Name: 3-[(3-ethyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-difluoromethyl]-5-methylbenzonitrile IUPAC Name: 3-[(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-4-yl)-difluoromethyl]-5-methylbenzonitrile Traditional Name: 3-[(3-ethyl-5-isopropyl-2,6-diketo-pyrimidin-4-yl)-difluoro-methyl]-5-methyl-benzonitrile Formula: C18H19F2N3O2 MolecularWeight: 347.359166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(C)C)C(C2=CC(=CC(=C2)C)C#N)(F)F

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(C)C)C(C2=CC(=CC(=C2)C)C#N)(F)F

InChI

InChI=1S/C18H19F2N3O2/c1-5-23-15(14(10(2)3)16(24)22-17(23)25)18(19,20)13-7-11(4)6-12(8-13)9-21/h6-8,10H,5H2,1-4H3,(H,22,24,25)