4-chloranyl-N-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide

Systemtic Name: 4-chloranyl-N-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide Openeye Name: 4-chloro-N-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide CAS Name: 4-chloro-N-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide IUPAC Name: 4-chloro-N-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide Traditional Name: 4-chloro-N-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzamide Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)NC(=O)C4=CC=C(C=C4)Cl

InChI

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