3-[5-tert-butyl-3-[(2-fluoranylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[5-tert-butyl-3-[(2-fluoranylpyridin-4-yl)methyl]-2,6-bis(oxidanylidene)pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[5-tert-butyl-3-[(2-fluoro-4-pyridyl)methyl]-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[5-tert-butyl-3-[(2-fluoro-4-pyridinyl)methyl]-2,6-dioxo-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[5-tert-butyl-3-[(2-fluoropyridin-4-yl)methyl]-2,6-dioxopyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[5-tert-butyl-3-[(2-fluoro-4-pyridyl)methyl]-2,6-diketo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile Formula: C23H21FN4O3 MolecularWeight: 420.436243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)F)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)F)C(C)(C)C)C#N

InChI

InChI=1S/C23H21FN4O3/c1-13-7-15(11-25)9-16(8-13)20(29)19-18(23(2,3)4)21(30)27-22(31)28(19)12-14-5-6-26-17(24)10-14/h5-10H,12H2,1-4H3,(H,27,30,31)