[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5)N=C1C

InChI

InChI=1S/C27H21N5O2/c1-17-18(2)31-25-14-20(8-13-23(25)30-17)27(33)34-22-11-9-21(10-12-22)32-26-15-24(28-16-29-26)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,28,29,32)