5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrobromide

Systemtic Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrobromide Openeye Name: 5-(3-pyridylmethyl)-2-[2-(thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrobromide CAS Name: 5-(3-pyridinylmethyl)-2-[2-(2-thiazolylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrobromide IUPAC Name: 5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrobromide Traditional Name: 5-(3-pyridylmethyl)-2-[2-(thiazol-2-ylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrobromide Formula: C16H20Br3N5OS2 MolecularWeight: 602.2049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NC=CS3.Br.Br.Br

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NC=CS3.Br.Br.Br

InChI

InChI=1S/C16H17N5OS2.3BrH/c22-15-13(8-12-2-1-3-17-9-12)10-20-16(21-15)19-4-6-23-11-14-18-5-7-24-14;;;/h1-3,5,7,9-10H,4,6,8,11H2,(H2,19,20,21,22);3*1H