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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(2-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(2-pyridinylmethyl)-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(2-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride Formula: C18H25Cl3N6OS MolecularWeight: 479.8547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSC(C)CNC2=NC=C(C(=O)N2)CC3=CC=CC=N3.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSC(C)CNC2=NC=C(C(=O)N2)CC3=CC=CC=N3.Cl.Cl.Cl

InChI

InChI=1S/C18H22N6OS.3ClH/c1-12(26-10-16-13(2)22-11-23-16)8-20-18-21-9-14(17(25)24-18)7-15-5-3-4-6-19-15;;;/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,22,23)(H2,20,21,24,25);3*1H