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

Systemtic Name: N-(4-chlorophenyl)-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C23H22ClN5O2S MolecularWeight: 467.97108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5O2S/c1-2-28-14-19-21(27-28)22(31)29(13-12-16-6-4-3-5-7-16)23(26-19)32-15-20(30)25-18-10-8-17(24)9-11-18/h3-11,14H,2,12-13,15H2,1H3,(H,25,30)