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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(phenylmethyl)-1H-pyrimidin-6-one dihydrochloride Openeye Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(phenylmethyl)-1H-pyrimidin-6-one dihydrochloride IUPAC Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride Traditional Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one dihydrochloride Formula: C18H23Cl2N5OS MolecularWeight: 428.37912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS.2ClH/c1-13-16(22-12-21-13)11-25-8-7-19-18-20-10-15(17(24)23-18)9-14-5-3-2-4-6-14;;/h2-6,10,12H,7-9,11H2,1H3,(H,21,22)(H2,19,20,23,24);2*1H