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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[2-(4-methoxyphenyl)pyrrolidino]propan-1-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-14-18(15(2)23-21(22-14)27-4)11-12-20(25)24-13-5-6-19(24)16-7-9-17(26-3)10-8-16/h7-10,19H,5-6,11-13H2,1-4H3