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

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O4S/c32-23(28-19-10-4-7-13-22(19)36-17-8-2-1-3-9-17)15-29-16-26-24-18(25(29)33)14-27-30(24)20-11-5-6-12-21(20)31(34)35/h1-14,16H,15H2,(H,28,32)