N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]-4-phenoxy-benzamide

Systemtic Name: N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]-4-phenoxy-benzamide Openeye Name: N-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]-4-phenoxy-benzamide CAS Name: N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]-4-phenoxybenzamide IUPAC Name: N-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]-4-phenoxybenzamide Traditional Name: N-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiocarbamoyl]-4-phenoxy-benzamide Formula: C25H18N6O3S MolecularWeight: 482.51382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=S)NC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H18N6O3S/c32-23(17-11-13-20(14-12-17)34-19-9-5-2-6-10-19)28-25(35)29-30-16-26-22-21(24(30)33)15-27-31(22)18-7-3-1-4-8-18/h1-16H,(H2,28,29,32,35)