5-chloranyl-6-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-chloranyl-6-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-3-carboxamide Openeye Name: 5-chloro-6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-3-carboxamide CAS Name: 5-chloro-6-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-chloro-6-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyridine-3-carboxamide Traditional Name: 5-chloro-6-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyridine-3-carboxamide Formula: C18H13ClN6O2S MolecularWeight: 412.85282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CNC(=O)C(=C2)Cl)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CNC(=O)C(=C2)Cl)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H13ClN6O2S/c19-14-5-11(6-20-17(14)27)16(26)24-12-3-1-2-10(4-12)8-28-18-13-7-23-25-15(13)21-9-22-18/h1-7,9H,8H2,(H,20,27)(H,24,26)(H,21,22,23,25)