5-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21ClN4O4S2/c1-3-27-14-7-6-12(10-15(14)29(25,26)23-8-4-5-9-23)21-17(24)16-13(19)11-20-18(22-16)28-2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,24)