ethyl 4-[2-azanyl-6-[(3-iodanyl-4-methyl-phenyl)amino]pyrimidin-4-yl]oxybenzoate

Systemtic Name: ethyl 4-[2-azanyl-6-[(3-iodanyl-4-methyl-phenyl)amino]pyrimidin-4-yl]oxybenzoate Openeye Name: ethyl 4-[2-amino-6-(3-iodo-4-methyl-anilino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[2-amino-6-(3-iodo-4-methylanilino)-4-pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-6-(3-iodo-4-methylanilino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[2-amino-6-(3-iodo-4-methyl-anilino)pyrimidin-4-yl]oxybenzoic acid ethyl ester Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)NC3=CC(=C(C=C3)C)I)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=C2)NC3=CC(=C(C=C3)C)I)N

InChI

InChI=1S/C20H19IN4O3/c1-3-27-19(26)13-5-8-15(9-6-13)28-18-11-17(24-20(22)25-18)23-14-7-4-12(2)16(21)10-14/h4-11H,3H2,1-2H3,(H3,22,23,24,25)