2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NCCSCC2=CC=CC(=C2)CN(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NCCSCC2=CC=CC(=C2)CN(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4OS/c1-19-23(13-12-20-8-5-4-6-9-20)24(30)28-25(27-19)26-14-15-31-18-22-11-7-10-21(16-22)17-29(2)3/h4-11,16H,12-15,17-18H2,1-3H3,(H2,26,27,28,30)