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

Systemtic Name: 3-[3-[(3-azanyl-5-fluoranyl-phenyl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile Openeye Name: 3-[3-[(3-amino-5-fluoro-phenyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-methyl-benzonitrile CAS Name: 3-[[3-[(3-amino-5-fluorophenyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-methylbenzonitrile IUPAC Name: 3-[3-[(3-amino-5-fluorophenyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile Traditional Name: 3-[3-(3-amino-5-fluoro-benzyl)-5-isopropyl-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(=CC(=C3)F)N)C(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O3/c1-12(2)19-20(21(29)16-5-13(3)4-14(6-16)10-25)28(23(31)27-22(19)30)11-15-7-17(24)9-18(26)8-15/h4-9,12H,11,26H2,1-3H3,(H,27,30,31)