5-[6-(4-bromophenyl)-3,5-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[6-(4-bromophenyl)-3,5-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[6-(4-bromophenyl)-3,5-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-benzonitrile CAS Name: 5-[6-(4-bromophenyl)-3,5-dimethyl-7-oxo-1-pyrazolo[4,3-d]pyrimidinyl]-2-fluorobenzonitrile IUPAC Name: 5-[6-(4-bromophenyl)-3,5-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorobenzonitrile Traditional Name: 5-[6-(4-bromophenyl)-7-keto-3,5-dimethyl-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-benzonitrile Formula: C20H13BrFN5O MolecularWeight: 438.252523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)C)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)C)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C20H13BrFN5O/c1-11-18-19(27(25-11)16-7-8-17(22)13(9-16)10-23)20(28)26(12(2)24-18)15-5-3-14(21)4-6-15/h3-9H,1-2H3