ethyl 4-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)N

InChI

InChI=1S/C21H22N4O3/c1-4-27-21(26)15-5-7-16(8-6-15)25-19-18(22)20(24-12-23-19)28-17-10-13(2)9-14(3)11-17/h5-12H,4,22H2,1-3H3,(H,23,24,25)