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

Systemtic Name: N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Openeye Name: N-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide CAS Name: N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Traditional Name: N-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiocarbamoyl]benzamide Formula: C19H14N6O2S MolecularWeight: 390.41846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H14N6O2S/c26-17(13-7-3-1-4-8-13)22-19(28)23-24-12-20-16-15(18(24)27)11-21-25(16)14-9-5-2-6-10-14/h1-12H,(H2,22,23,26,28)