ethyl 3-[[2-azanyl-6-(5-bromanyl-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[2-azanyl-6-(5-bromanyl-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[2-amino-6-(5-bromo-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[2-amino-6-(5-bromo-2-methoxyphenyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-amino-6-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[2-amino-6-(5-bromo-2-methoxy-phenyl)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=C2)C3=C(C=CC(=C3)Br)OC)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC(=C2)C3=C(C=CC(=C3)Br)OC)N

InChI

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