2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one dihydrochloride

Systemtic Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one dihydrochloride Openeye Name: 2-[2-(2-furylmethylsulfanyl)ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one dihydrochloride CAS Name: 2-[2-(2-furanylmethylthio)ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one dihydrochloride IUPAC Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one dihydrochloride Traditional Name: 2-[2-(2-furfurylthio)ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one dihydrochloride Formula: C18H22Cl2N4O2S MolecularWeight: 429.36388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3.Cl.Cl

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3.Cl.Cl

InChI

InChI=1S/C18H20N4O2S.2ClH/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16;;/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23);2*1H