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

Systemtic Name: 4-chloranyl-N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiocarbamoyl]benzamide Formula: C19H13ClN6O2S MolecularWeight: 424.86352

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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)Cl

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)Cl

InChI

InChI=1S/C19H13ClN6O2S/c20-13-8-6-12(7-9-13)17(27)23-19(29)24-25-11-21-16-15(18(25)28)10-22-26(16)14-4-2-1-3-5-14/h1-11H,(H2,23,24,27,29)