2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-28(2)17-20-9-6-10-21(15-20)18-30-14-13-25-24-26-16-22(23(29)27-24)12-11-19-7-4-3-5-8-19/h3-10,15-16H,11-14,17-18H2,1-2H3,(H2,25,26,27,29)