N-(3-chloranyl-4-fluoranyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C15H13ClFN5O2 MolecularWeight: 349.747423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H13ClFN5O2/c1-21-14-10(7-19-21)15(24)22(8-18-14)5-4-13(23)20-9-2-3-12(17)11(16)6-9/h2-3,6-8H,4-5H2,1H3,(H,20,23)