1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H27N3O3S/c1-17-14-21(18-8-5-4-6-9-18)27-25(26-17)32-16-24(29)28-13-7-10-22(28)20-15-19(30-2)11-12-23(20)31-3/h4-6,8-9,11-12,14-15,22H,7,10,13,16H2,1-3H3/t22-/m1/s1