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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(4-o-phenetylpiperazino)propan-1-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4O2S/c1-5-28-20-9-7-6-8-19(20)25-12-14-26(15-13-25)21(27)11-10-18-16(2)23-22(29-4)24-17(18)3/h6-9H,5,10-15H2,1-4H3