2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride Openeye Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride Traditional Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5,6-dimethyl-1H-pyrimidin-4-one dihydrochloride Formula: C12H19Cl2N5OS MolecularWeight: 352.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)NCCSCC2=CN=CN2)C.Cl.Cl

Isomeric SMILES

CC1=C(NC(=NC1=O)NCCSCC2=CN=CN2)C.Cl.Cl

InChI

InChI=1S/C12H17N5OS.2ClH/c1-8-9(2)16-12(17-11(8)18)14-3-4-19-6-10-5-13-7-15-10;;/h5,7H,3-4,6H2,1-2H3,(H,13,15)(H2,14,16,17,18);2*1H