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

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)-oxidanyl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)-hydroxy-methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)-hydroxymethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)-hydroxymethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-benzoxy-5-bromo-phenyl)-hydroxy-methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(C3C(=O)NC(=S)NC3=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(C3C(=O)NC(=S)NC3=O)O

InChI

InChI=1S/C18H15BrN2O4S/c19-11-6-7-13(25-9-10-4-2-1-3-5-10)12(8-11)15(22)14-16(23)20-18(26)21-17(14)24/h1-8,14-15,22H,9H2,(H2,20,21,23,24,26)