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

Systemtic Name: ethyl 3-[[2-azanyl-6-(5-chloranyl-2-methyl-phenyl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[2-amino-6-(5-chloro-2-methylphenyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[2-amino-6-(5-chloro-2-methyl-phenyl)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19ClN4O2 MolecularWeight: 382.84346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2/c1-3-27-19(26)13-5-4-6-15(9-13)23-18-11-17(24-20(22)25-18)16-10-14(21)8-7-12(16)2/h4-11H,3H2,1-2H3,(H3,22,23,24,25)