1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(2-pyrimidylthio)ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H21N3O3S/c1-23-13-6-7-16(24-2)14(11-13)15-5-3-10-21(15)17(22)12-25-18-19-8-4-9-20-18/h4,6-9,11,15H,3,5,10,12H2,1-2H3/t15-/m1/s1