N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-iodanyl-benzamide

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-iodanyl-benzamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-2-iodo-benzamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-2-iodobenzamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-iodobenzamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-2-iodo-benzamide Formula: C18H11ClIN5O2 MolecularWeight: 491.66971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)I

InChI

InChI=1S/C18H11ClIN5O2/c19-11-4-3-5-12(8-11)25-16-14(9-22-25)18(27)24(10-21-16)23-17(26)13-6-1-2-7-15(13)20/h1-10H,(H,23,26)