6-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]uracil Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C12H9N3O5S/c16-10-5-7(13-12(18)14-10)6-15-11(17)8-3-1-2-4-9(8)21(15,19)20/h1-5H,6H2,(H2,13,14,16,18)