3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 3-nitro-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C19H13N9O4S MolecularWeight: 463.42942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C19H13N9O4S/c29-28(30)11-4-3-5-12(8-11)33(31,32)27-19-18(23-14-6-1-2-7-15(14)24-19)25-16-13-9-22-26-17(13)21-10-20-16/h1-10H,(H,24,27)(H2,20,21,22,23,25,26)