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

Systemtic Name: 4-bromanyl-N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Openeye Name: 4-bromo-N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide CAS Name: 4-bromo-N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: 4-bromo-N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]benzamide Traditional Name: 4-bromo-N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]benzamide Formula: C18H11BrClN5O2 MolecularWeight: 444.66924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClN5O2/c19-12-6-4-11(5-7-12)17(26)23-24-10-21-16-15(18(24)27)9-22-25(16)14-3-1-2-13(20)8-14/h1-10H,(H,23,26)