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

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-27(2)15-18-4-3-5-19(12-18)16-29-11-10-24-22-25-14-20(21(28)26-22)13-17-6-8-23-9-7-17/h3-9,12,14H,10-11,13,15-16H2,1-2H3,(H2,24,25,26,28)