ethyl 4-[2-[(4-iodophenyl)amino]pyrimidin-4-yl]benzoate

Systemtic Name: ethyl 4-[2-[(4-iodophenyl)amino]pyrimidin-4-yl]benzoate Openeye Name: ethyl 4-[2-(4-iodoanilino)pyrimidin-4-yl]benzoate CAS Name: 4-[2-(4-iodoanilino)-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-iodoanilino)pyrimidin-4-yl]benzoate Traditional Name: 4-[2-(4-iodoanilino)pyrimidin-4-yl]benzoic acid ethyl ester Formula: C19H16IN3O2 MolecularWeight: 445.25371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)I

InChI

InChI=1S/C19H16IN3O2/c1-2-25-18(24)14-5-3-13(4-6-14)17-11-12-21-19(23-17)22-16-9-7-15(20)8-10-16/h3-12H,2H2,1H3,(H,21,22,23)