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

Systemtic Name: 3-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide Openeye Name: 3-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide CAS Name: 3-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4H-quinoxaline-2-carboxamide IUPAC Name: 3-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-4H-quinoxaline-2-carboxamide Traditional Name: 3-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4H-quinoxaline-2-carboxamide Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H15N7O2S/c29-19(17-20(30)27-16-7-2-1-6-15(16)26-17)25-13-5-3-4-12(8-13)10-31-21-14-9-24-28-18(14)22-11-23-21/h1-9,11H,10H2,(H,25,29)(H,27,30)(H,22,23,24,28)