4-methyl-6-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-6-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: 4-methyl-6-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: 4-methyl-6-(methylthio)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-6-methylsulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: 4-methyl-6-(methylthio)-N-(3-pyrrolidinosulfonylphenyl)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O3S3/c1-14-18(21(29-2)24-19(22-14)17-9-6-12-30-17)20(26)23-15-7-5-8-16(13-15)31(27,28)25-10-3-4-11-25/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,23,26)