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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C24H24ClN5O2S MolecularWeight: 481.99766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN5O2S/c1-3-29-14-20-22(28-29)23(32)30(13-12-17-8-5-4-6-9-17)24(27-20)33-15-21(31)26-19-11-7-10-18(25)16(19)2/h4-11,14H,3,12-13,15H2,1-2H3,(H,26,31)