2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-1H-pyrimidin-6-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=CC(=O)N2

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=CC(=O)N2

InChI

InChI=1S/C16H22N4OS/c1-20(2)11-13-4-3-5-14(10-13)12-22-9-8-18-16-17-7-6-15(21)19-16/h3-7,10H,8-9,11-12H2,1-2H3,(H2,17,18,19,21)