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

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-ethyl-7-oxidanylidene-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: 2-(6-benzyl-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[2-ethyl-7-oxo-6-(phenylmethyl)-5-pyrazolo[4,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(6-benzyl-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(6-benzyl-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-p-phenetyl-acetamide Formula: C24H25N5O3S MolecularWeight: 463.552

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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)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3S/c1-3-28-15-20-22(27-28)23(31)29(14-17-8-6-5-7-9-17)24(26-20)33-16-21(30)25-18-10-12-19(13-11-18)32-4-2/h5-13,15H,3-4,14,16H2,1-2H3,(H,25,30)