6-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-diazinan-4-one

Systemtic Name: 6-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-diazinan-4-one Openeye Name: 6-amino-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-hexahydropyrimidin-4-one CAS Name: 6-amino-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-diazinan-4-one IUPAC Name: 6-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-diazinan-4-one Traditional Name: 6-amino-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]hexahydropyrimidin-4-one Formula: C12H14BrN3O2S MolecularWeight: 344.22746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=O)SCC(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C1C(NC(NC1=O)SCC(=O)C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C12H14BrN3O2S/c13-8-3-1-7(2-4-8)9(17)6-19-12-15-10(14)5-11(18)16-12/h1-4,10,12,15H,5-6,14H2,(H,16,18)