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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CN(N=C3C(=O)N2CCC4=CC=CC=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CN(N=C3C(=O)N2CCC4=CC=CC=C4)CC

InChI

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