6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C14H12ClFN4O MolecularWeight: 306.722683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN(C2=O)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=NN(C2=C1N=CN(C2=O)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C14H12ClFN4O/c1-8-12-13(19(2)18-8)14(21)20(7-17-12)6-9-10(15)4-3-5-11(9)16/h3-5,7H,6H2,1-2H3