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

Systemtic Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione Openeye Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione CAS Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione IUPAC Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-dione Traditional Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)pyrimidine-2,4-quinone Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c16-11-5-6-15(13(17)14-11)12-8-19-10-4-2-1-3-9(10)7-18-12/h1-6,12H,7-8H2,(H,14,16,17)