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

Systemtic Name: N-[4-(cyclopropylcarbonylamino)phenyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H20N4O2S2/c1-12-17(21(28-2)25-18(22-12)16-4-3-11-29-16)20(27)24-15-9-7-14(8-10-15)23-19(26)13-5-6-13/h3-4,7-11,13H,5-6H2,1-2H3,(H,23,26)(H,24,27)