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

Systemtic Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Openeye Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one trihydrochloride CAS Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one trihydrochloride IUPAC Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one trihydrochloride Traditional Name: 2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-5-(3-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=CN=CC=C3.Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6OS.3ClH/c1-13-16(23-12-22-13)11-26-7-3-6-20-18-21-10-15(17(25)24-18)8-14-4-2-5-19-9-14;;;/h2,4-5,9-10,12H,3,6-8,11H2,1H3,(H,22,23)(H2,20,21,24,25);3*1H