5-(pyridin-4-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride

Systemtic Name: 5-(pyridin-4-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride Openeye Name: 5-(4-pyridylmethyl)-2-[2-(thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride CAS Name: 5-(pyridin-4-ylmethyl)-2-[2-(2-thiazolylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 5-(pyridin-4-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride Traditional Name: 5-(4-pyridylmethyl)-2-[2-(thiazol-2-ylmethylthio)ethylamino]-1H-pyrimidin-6-one trihydrochloride Formula: C16H20Cl3N5OS2 MolecularWeight: 468.8519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=CN=C(NC2=O)NCCSCC3=NC=CS3.Cl.Cl.Cl

Isomeric SMILES

C1=CN=CC=C1CC2=CN=C(NC2=O)NCCSCC3=NC=CS3.Cl.Cl.Cl

InChI

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