4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide

Systemtic Name: 4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide Openeye Name: 4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide CAS Name: 4-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-quinolinecarboxamide IUPAC Name: 4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-2-carboxamide Traditional Name: 4-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]quinaldamide Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H18N6O2S/c1-31-20-10-19(28-18-8-3-2-7-16(18)20)22(30)27-15-6-4-5-14(9-15)12-32-23-17-11-26-29-21(17)24-13-25-23/h2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,29)