2-[(3-bromophenyl)methylsulfanyl]-5-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one dihydrobromide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one dihydrobromide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(morpholinomethyl)-1H-pyrimidin-6-one dihydrobromide CAS Name: 2-[(3-bromophenyl)methylthio]-5-(4-morpholinylmethyl)-1H-pyrimidin-6-one dihydrobromide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one dihydrobromide Traditional Name: 2-[(3-bromobenzyl)thio]-5-(morpholinomethyl)-1H-pyrimidin-6-one dihydrobromide Formula: C16H20Br3N3O2S MolecularWeight: 558.1259

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CN=C(NC2=O)SCC3=CC(=CC=C3)Br.Br.Br

Isomeric SMILES

C1COCCN1CC2=CN=C(NC2=O)SCC3=CC(=CC=C3)Br.Br.Br

InChI

InChI=1S/C16H18BrN3O2S.2BrH/c17-14-3-1-2-12(8-14)11-23-16-18-9-13(15(21)19-16)10-20-4-6-22-7-5-20;;/h1-3,8-9H,4-7,10-11H2,(H,18,19,21);2*1H