1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-13-10-14(2)22-20(21-13)27-12-19(24)23-9-5-6-16(23)15-7-8-17(25-3)18(11-15)26-4/h7-8,10-11,16H,5-6,9,12H2,1-4H3