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

Systemtic Name: N-(4-ethoxyphenyl)-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: 2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-p-phenetyl-acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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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)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3S/c1-3-29-16-21-23(28-29)24(32)30(15-14-18-8-6-5-7-9-18)25(27-21)34-17-22(31)26-19-10-12-20(13-11-19)33-4-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,26,31)