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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H14IN3O2 MolecularWeight: 431.22713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14IN3O2/c1-12-10-17(21-11-20-12)22-13-6-8-14(9-7-13)24-18(23)15-4-2-3-5-16(15)19/h2-11H,1H3,(H,20,21,22)