N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-6-methyl-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-6-methyl-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=NC(=N2)SC)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=NC(=N2)SC)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H24N4O4S2/c1-4-27-16-8-7-14(12-17(16)29(25,26)23-9-5-6-10-23)21-18(24)15-11-13(2)20-19(22-15)28-3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,24)