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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionamide Formula: C21H18FN5O2S MolecularWeight: 423.463323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)F

InChI

InChI=1S/C21H18FN5O2S/c1-12-8-9-14(10-17(12)22)24-19(28)13(2)30-21-25-18-16(20(29)26-21)11-23-27(18)15-6-4-3-5-7-15/h3-11,13,23H,1-2H3,(H,24,28)