N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: 4-methyl-6-(methylthio)-N-[3-(pivaloylamino)phenyl]-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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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)NC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S2/c1-13-17(20(29-5)26-18(23-13)16-10-7-11-30-16)19(27)24-14-8-6-9-15(12-14)25-21(28)22(2,3)4/h6-12H,1-5H3,(H,24,27)(H,25,28)