3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(4-pyridylmethyl)piperazino]propan-1-one Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H27N5OS/c1-15-18(16(2)23-20(22-15)27-3)4-5-19(26)25-12-10-24(11-13-25)14-17-6-8-21-9-7-17/h6-9H,4-5,10-14H2,1-3H3