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

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-14-17(15(2)24-22(23-14)29-5)9-11-21(26)25-12-6-7-19(25)18-13-16(27-3)8-10-20(18)28-4/h8,10,13,19H,6-7,9,11-12H2,1-5H3