2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c27-19(22-11-12-29-17-9-5-2-6-10-17)14-25-15-23-20-18(21(25)28)13-24-26(20)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,27)