2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C23H22FN5O2S MolecularWeight: 451.516483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3F)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3F)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22FN5O2S/c1-2-28-14-19-21(27-28)22(31)29(13-12-16-8-4-3-5-9-16)23(26-19)32-15-20(30)25-18-11-7-6-10-17(18)24/h3-11,14H,2,12-13,15H2,1H3,(H,25,30)