5-[(4-bromophenyl)-oxidanyl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-bromophenyl)-oxidanyl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-bromophenyl)-hydroxy-methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-bromophenyl)-hydroxymethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-bromophenyl)-hydroxymethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-bromophenyl)-hydroxy-methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H9BrN2O3S MolecularWeight: 329.16976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)O)Br

InChI

InChI=1S/C11H9BrN2O3S/c12-6-3-1-5(2-4-6)8(15)7-9(16)13-11(18)14-10(7)17/h1-4,7-8,15H,(H2,13,14,16,17,18)