(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[2-(2,4-dimethoxyphenyl)pyrrolidino]methanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=NC(=NC=C3Cl)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=NC(=NC=C3Cl)SC)OC

InChI

InChI=1S/C18H20ClN3O3S/c1-24-11-6-7-12(15(9-11)25-2)14-5-4-8-22(14)17(23)16-13(19)10-20-18(21-16)26-3/h6-7,9-10,14H,4-5,8H2,1-3H3