5-fluoranyl-1-[4-(4-methylphenyl)sulfonyl-1,4-oxazepan-7-yl]pyrimidine-2,4-dione

Systemtic Name: 5-fluoranyl-1-[4-(4-methylphenyl)sulfonyl-1,4-oxazepan-7-yl]pyrimidine-2,4-dione Openeye Name: 5-fluoro-1-[4-(p-tolylsulfonyl)-1,4-oxazepan-7-yl]pyrimidine-2,4-dione CAS Name: 5-fluoro-1-[4-(4-methylphenyl)sulfonyl-1,4-oxazepan-7-yl]pyrimidine-2,4-dione IUPAC Name: 5-fluoro-1-[4-(4-methylphenyl)sulfonyl-1,4-oxazepan-7-yl]pyrimidine-2,4-dione Traditional Name: 5-fluoro-1-(4-tosyl-1,4-oxazepan-7-yl)pyrimidine-2,4-quinone Formula: C16H18FN3O5S MolecularWeight: 383.394623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(OCC2)N3C=C(C(=O)NC3=O)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(OCC2)N3C=C(C(=O)NC3=O)F

InChI

InChI=1S/C16H18FN3O5S/c1-11-2-4-12(5-3-11)26(23,24)19-7-6-14(25-9-8-19)20-10-13(17)15(21)18-16(20)22/h2-5,10,14H,6-9H2,1H3,(H,18,21,22)