2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride Formula: C17H23Cl3N6OS MolecularWeight: 465.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3.Cl.Cl.Cl

InChI

InChI=1S/C17H20N6OS.3ClH/c1-12-15(22-11-21-12)10-25-7-6-19-17-20-9-14(16(24)23-17)8-13-2-4-18-5-3-13;;;/h2-5,9,11H,6-8,10H2,1H3,(H,21,22)(H2,19,20,23,24);3*1H