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

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

CCCCN1C=C2C(=N1)N=CN(C2=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCN1C=C2C(=N1)N=CN(C2=O)CC3=C(C=CC=C3Cl)F

InChI

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