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

Systemtic Name: methyl 4-[2-azanyl-6-[(3-iodanyl-4-methyl-phenyl)amino]pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17IN4O3 MolecularWeight: 476.26775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)OC3=CC=C(C=C3)C(=O)OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)OC3=CC=C(C=C3)C(=O)OC)I

InChI

InChI=1S/C19H17IN4O3/c1-11-3-6-13(9-15(11)20)22-16-10-17(24-19(21)23-16)27-14-7-4-12(5-8-14)18(25)26-2/h3-10H,1-2H3,(H3,21,22,23,24)