methyl 4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19BrN4O3 MolecularWeight: 443.29386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19BrN4O3/c1-3-28-17-9-6-13(21)10-15(17)16-11-18(25-20(22)24-16)23-14-7-4-12(5-8-14)19(26)27-2/h4-11H,3H2,1-2H3,(H3,22,23,24,25)