2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-mesityl-acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=O)C3=CNNC3=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=O)C3=CNNC3=N2)C

InChI

InChI=1S/C16H17N5O2S/c1-8-4-9(2)13(10(3)5-8)18-12(22)7-24-16-19-14-11(6-17-21-14)15(23)20-16/h4-6H,7H2,1-3H3,(H,18,22)(H2,17,19,20,21,23)