N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]quinoxaline-2-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS/c1-13-11-14(2)24-21(23-13)28-16-9-7-15(8-10-16)25-20(27)19-12-22-17-5-3-4-6-18(17)26-19/h3-12H,1-2H3,(H,25,27)