3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H30N4O4S2/c1-5-30-19-10-8-17(14-20(19)32(28,29)26-12-6-7-13-26)25-21(27)11-9-18-15(2)23-22(31-4)24-16(18)3/h8,10,14H,5-7,9,11-13H2,1-4H3,(H,25,27)