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

Systemtic Name: 3-[[2,6-bis(oxidanylidene)-5-propan-2-yl-3-prop-2-ynyl-pyrimidin-4-yl]-fluoranyl-methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[fluoro-(5-isopropyl-2,6-dioxo-3-prop-2-ynyl-pyrimidin-4-yl)methyl]-5-methyl-benzonitrile CAS Name: 3-[(2,6-dioxo-5-propan-2-yl-3-prop-2-ynyl-4-pyrimidinyl)-fluoromethyl]-5-methylbenzonitrile IUPAC Name: 3-[(2,6-dioxo-5-propan-2-yl-3-prop-2-ynylpyrimidin-4-yl)-fluoromethyl]-5-methylbenzonitrile Traditional Name: 3-[fluoro-(5-isopropyl-2,6-diketo-3-propargyl-pyrimidin-4-yl)methyl]-5-methyl-benzonitrile Formula: C19H18FN3O2 MolecularWeight: 339.363523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)C(C2=C(C(=O)NC(=O)N2CC#C)C(C)C)F

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)C(C2=C(C(=O)NC(=O)N2CC#C)C(C)C)F

InChI

InChI=1S/C19H18FN3O2/c1-5-6-23-17(15(11(2)3)18(24)22-19(23)25)16(20)14-8-12(4)7-13(9-14)10-21/h1,7-9,11,16H,6H2,2-4H3,(H,22,24,25)