1-tert-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[(2-chloro-6-fluoro-phenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-(2-chloro-6-fluoro-benzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H16ClFN4O MolecularWeight: 334.775843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H16ClFN4O/c1-16(2,3)22-14-10(7-20-22)15(23)21(9-19-14)8-11-12(17)5-4-6-13(11)18/h4-7,9H,8H2,1-3H3