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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3)Cl

InChI

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