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

Systemtic Name: 5-[6-(4-bromophenyl)-3-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[6-(4-bromophenyl)-3-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-benzonitrile CAS Name: 5-[6-(4-bromophenyl)-3-methyl-7-oxo-1-pyrazolo[4,3-d]pyrimidinyl]-2-fluorobenzonitrile IUPAC Name: 5-[6-(4-bromophenyl)-3-methyl-7-oxopyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorobenzonitrile Traditional Name: 5-[6-(4-bromophenyl)-7-keto-3-methyl-pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-benzonitrile Formula: C19H11BrFN5O MolecularWeight: 424.225943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11BrFN5O/c1-11-17-18(26(24-11)15-6-7-16(21)12(8-15)9-22)19(27)25(10-23-17)14-4-2-13(20)3-5-14/h2-8,10H,1H3