[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)propionic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H21N5O3/c33-26(15-14-23-27(34)32-22-9-5-4-8-21(22)31-23)35-20-12-10-19(11-13-20)30-25-16-24(28-17-29-25)18-6-2-1-3-7-18/h1-13,16-17H,14-15H2,(H,32,34)(H,28,29,30)