5-chloranyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide Openeye Name: 5-chloro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide CAS Name: 5-chloro-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-2-carboxamide IUPAC Name: 5-chloro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide Traditional Name: 5-chloro-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-2-carboxamide Formula: C21H15ClN6OS MolecularWeight: 434.9014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H15ClN6OS/c22-14-4-5-17-13(7-14)8-18(27-17)20(29)26-15-3-1-2-12(6-15)10-30-21-16-9-25-28-19(16)23-11-24-21/h1-9,11,27H,10H2,(H,26,29)(H,23,24,25,28)