5-bromanyl-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione

Systemtic Name: 5-bromanyl-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione Openeye Name: 5-bromo-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione CAS Name: 5-bromo-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione IUPAC Name: 5-bromo-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione Traditional Name: 5-bromo-1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-quinone Formula: C13H11BrN2O3S MolecularWeight: 355.20704

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2S1)N3C=C(C(=O)NC3=O)Br

Isomeric SMILES

C1C(OCC2=CC=CC=C2S1)N3C=C(C(=O)NC3=O)Br

InChI

InChI=1S/C13H11BrN2O3S/c14-9-5-16(13(18)15-12(9)17)11-7-20-10-4-2-1-3-8(10)6-19-11/h1-5,11H,6-7H2,(H,15,17,18)