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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C24H18IN3O2 MolecularWeight: 507.32309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)C4=CC=CC=C4

InChI

InChI=1S/C24H18IN3O2/c1-16-26-22(17-7-3-2-4-8-17)15-23(27-16)28-18-11-13-19(14-12-18)30-24(29)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,26,27,28)