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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C26H17N3O4 MolecularWeight: 435.43088

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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)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H17N3O4/c30-25(21-14-18-8-4-5-9-23(18)33-26(21)31)32-20-12-10-19(11-13-20)29-24-15-22(27-16-28-24)17-6-2-1-3-7-17/h1-16H,(H,27,28,29)