1-[1-(4-aminophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-5-fluoranyl-pyrimidine-2,4-dione

Systemtic Name: 1-[1-(4-aminophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-5-fluoranyl-pyrimidine-2,4-dione Openeye Name: 1-[1-(4-aminophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-5-fluoro-pyrimidine-2,4-dione CAS Name: 1-[1-(4-aminophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-5-fluoropyrimidine-2,4-dione IUPAC Name: 1-[1-(4-aminophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]-5-fluoropyrimidine-2,4-dione Traditional Name: 5-fluoro-1-(1-sulfanilyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl)pyrimidine-2,4-quinone Formula: C19H17FN4O5S MolecularWeight: 432.425483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)N)N4C=C(C(=O)NC4=O)F

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)N)N4C=C(C(=O)NC4=O)F

InChI

InChI=1S/C19H17FN4O5S/c20-15-9-23(19(26)22-18(15)25)17-10-24(16-4-2-1-3-12(16)11-29-17)30(27,28)14-7-5-13(21)6-8-14/h1-9,17H,10-11,21H2,(H,22,25,26)