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

Systemtic Name: 4-chloranyl-N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Openeye Name: 4-chloro-N-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-chloro-N-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-chloro-N-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-chloro-N-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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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(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O2/c19-13-8-6-12(7-9-13)17(25)22-23-11-20-16-15(18(23)26)10-21-24(16)14-4-2-1-3-5-14/h1-11H,(H,22,25)