2-(5-chloranylthiophen-2-yl)-N-(4,6-dimethylpyrimidin-2-yl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-(4,6-dimethylpyrimidin-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-(4,6-dimethylpyrimidin-2-yl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-(4,6-dimethyl-2-pyrimidinyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-(4,6-dimethylpyrimidin-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-(4,6-dimethylpyrimidin-2-yl)-6-methyl-cinchoninamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC(=CC(=N3)C)C)C4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC(=CC(=N3)C)C)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H17ClN4OS/c1-11-4-5-16-14(8-11)15(10-17(25-16)18-6-7-19(22)28-18)20(27)26-21-23-12(2)9-13(3)24-21/h4-10H,1-3H3,(H,23,24,26,27)