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

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-1H-pyrimidin-6-one Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-27(2)15-19-9-6-10-20(13-19)17-30-12-11-24-23-25-14-21(22(28)26-23)29-16-18-7-4-3-5-8-18/h3-10,13-14H,11-12,15-17H2,1-2H3,(H2,24,25,26,28)