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

Systemtic Name: N-(2,4-dimethylphenyl)-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2S/c1-4-29-15-21-23(28-29)24(32)30(13-12-19-8-6-5-7-9-19)25(27-21)33-16-22(31)26-20-11-10-17(2)14-18(20)3/h5-11,14-15H,4,12-13,16H2,1-3H3,(H,26,31)