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

Systemtic Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-(2-furylmethylsulfanyl)ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(2-furanylmethylthio)ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(2-furfurylthio)ethylamino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/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)