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

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-5-(4-phenylbutyl)-1H-pyrimidin-6-one Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCCCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N4OS/c1-30(2)19-22-12-8-13-23(17-22)20-32-16-15-27-26-28-18-24(25(31)29-26)14-7-6-11-21-9-4-3-5-10-21/h3-5,8-10,12-13,17-18H,6-7,11,14-16,19-20H2,1-2H3,(H2,27,28,29,31)