[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H16IN3O2 MolecularWeight: 493.29651

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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=CC=CC=C4I

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C23H16IN3O2/c24-20-9-5-4-8-19(20)23(28)29-18-12-10-17(11-13-18)27-22-14-21(25-15-26-22)16-6-2-1-3-7-16/h1-15H,(H,25,26,27)