2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one hydrochloride

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one hydrochloride Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(3-quinolylmethyl)-1H-pyrimidin-6-one hydrochloride CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(3-quinolinylmethyl)-1H-pyrimidin-6-one hydrochloride IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one hydrochloride Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(3-quinolylmethyl)-1H-pyrimidin-6-one hydrochloride Formula: C21H23ClN6OS MolecularWeight: 442.96492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3.Cl

InChI

InChI=1S/C21H22N6OS.ClH/c1-14-19(26-13-25-14)12-29-7-6-22-21-24-11-17(20(28)27-21)9-15-8-16-4-2-3-5-18(16)23-10-15;/h2-5,8,10-11,13H,6-7,9,12H2,1H3,(H,25,26)(H2,22,24,27,28);1H