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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(4-p-anisoylpiperazino)propan-1-one Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-15-19(16(2)24-22(23-15)30-4)9-10-20(27)25-11-13-26(14-12-25)21(28)17-5-7-18(29-3)8-6-17/h5-8H,9-14H2,1-4H3