(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-quinoxalin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-quinoxalin-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-quinoxalin-2-yl-prop-2-enamide CAS Name: (E)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-(2-quinoxalinyl)-2-propenamide IUPAC Name: (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-quinoxalin-2-ylprop-2-enamide Traditional Name: (E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-quinoxalin-2-yl-acrylamide Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C=CC3=NC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)/C=C/C3=NC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C23H19N5OS/c1-15-13-16(2)26-23(25-15)30-19-10-7-17(8-11-19)28-22(29)12-9-18-14-24-20-5-3-4-6-21(20)27-18/h3-14H,1-2H3,(H,28,29)/b12-9+