2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one dihydrochloride Formula: C21H29Cl2N5OS MolecularWeight: 470.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CCCCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CCCCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H27N5OS.2ClH/c1-16-19(25-15-24-16)14-28-12-11-22-21-23-13-18(20(27)26-21)10-6-5-9-17-7-3-2-4-8-17;;/h2-4,7-8,13,15H,5-6,9-12,14H2,1H3,(H,24,25)(H2,22,23,26,27);2*1H