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

Systemtic Name: 2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: 2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2S/c1-2-28-16-20-22(27-28)23(31)29(14-13-18-9-5-3-6-10-18)24(26-20)32-17-21(30)25-15-19-11-7-4-8-12-19/h3-12,16H,2,13-15,17H2,1H3,(H,25,30)