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

Systemtic Name: 3-[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-(fluoranylmethyl)benzenecarbonitrile Openeye Name: 3-(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-(fluoromethyl)benzonitrile CAS Name: 3-[(3-ethyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]-5-(fluoromethyl)benzonitrile IUPAC Name: 3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-(fluoromethyl)benzonitrile Traditional Name: 3-(3-ethyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-(fluoromethyl)benzonitrile Formula: C18H18FN3O3 MolecularWeight: 343.352223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3/c1-4-22-15(14(10(2)3)17(24)21-18(22)25)16(23)13-6-11(8-19)5-12(7-13)9-20/h5-7,10H,4,8H2,1-3H3,(H,21,24,25)