N-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C20H15ClFN5O2 MolecularWeight: 411.816803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H15ClFN5O2/c21-15-10-12(6-7-16(15)22)24-18(28)9-8-17-25-19-14(20(29)26-17)11-23-27(19)13-4-2-1-3-5-13/h1-7,10-11,23H,8-9H2,(H,24,28)