2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride

Systemtic Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Openeye Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride CAS Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Traditional Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride Formula: C18H25Cl3N6OS MolecularWeight: 479.8547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3.Cl.Cl.Cl

InChI

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