7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one

Systemtic Name: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one Openeye Name: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one CAS Name: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one IUPAC Name: 7-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-3H-purin-6-one Traditional Name: 7-(1-nosyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl)-3H-purin-6-one Formula: C20H16N6O6S MolecularWeight: 468.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4C(=O)N=CN5

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4C(=O)N=CN5

InChI

InChI=1S/C20H16N6O6S/c27-20-18-19(21-11-22-20)23-12-24(18)17-9-25(16-4-2-1-3-13(16)10-32-17)33(30,31)15-7-5-14(6-8-15)26(28)29/h1-8,11-12,17H,9-10H2,(H,21,22,27)