2-[[1-[[3-(dimethylaminomethyl)-4-methyl-furan-2-yl]methylsulfanyl]ethylamino]-pyridin-3-yl-methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[1-[[3-(dimethylaminomethyl)-4-methyl-furan-2-yl]methylsulfanyl]ethylamino]-pyridin-3-yl-methyl]-1H-pyrimidin-6-one Openeye Name: 2-[[1-[[3-(dimethylaminomethyl)-4-methyl-2-furyl]methylsulfanyl]ethylamino]-(3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[[1-[[3-(dimethylaminomethyl)-4-methyl-2-furanyl]methylthio]ethylamino]-(3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[[1-[[3-(dimethylaminomethyl)-4-methylfuran-2-yl]methylsulfanyl]ethylamino]-pyridin-3-ylmethyl]-1H-pyrimidin-6-one Traditional Name: 2-[[1-[[3-(dimethylaminomethyl)-4-methyl-2-furyl]methylthio]ethylamino]-(3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=C1CN(C)C)CSC(C)NC(C2=CN=CC=C2)C3=NC=CC(=O)N3

Isomeric SMILES

CC1=COC(=C1CN(C)C)CSC(C)NC(C2=CN=CC=C2)C3=NC=CC(=O)N3

InChI

InChI=1S/C21H27N5O2S/c1-14-12-28-18(17(14)11-26(3)4)13-29-15(2)24-20(16-6-5-8-22-10-16)21-23-9-7-19(27)25-21/h5-10,12,15,20,24H,11,13H2,1-4H3,(H,23,25,27)