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

Systemtic Name: 3-[3-[(2-azanyl-6-fluoranyl-pyridin-4-yl)methyl]-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-bromanyl-benzenecarbonitrile Openeye Name: 3-[3-[(2-amino-6-fluoro-4-pyridyl)methyl]-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl]-5-bromo-benzonitrile CAS Name: 3-[[3-[(2-amino-6-fluoro-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl]-oxomethyl]-5-bromobenzonitrile IUPAC Name: 3-[3-[(2-amino-6-fluoropyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-bromobenzonitrile Traditional Name: 3-[3-[(2-amino-6-fluoro-4-pyridyl)methyl]-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl]-5-bromo-benzonitrile Formula: C21H17BrFN5O3 MolecularWeight: 486.293783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)NC1=O)CC2=CC(=NC(=C2)F)N)C(=O)C3=CC(=CC(=C3)C#N)Br

Isomeric SMILES

CC(C)C1=C(N(C(=O)NC1=O)CC2=CC(=NC(=C2)F)N)C(=O)C3=CC(=CC(=C3)C#N)Br

InChI

InChI=1S/C21H17BrFN5O3/c1-10(2)17-18(19(29)13-3-11(8-24)4-14(22)7-13)28(21(31)27-20(17)30)9-12-5-15(23)26-16(25)6-12/h3-7,10H,9H2,1-2H3,(H2,25,26)(H,27,30,31)