dimethyl 5-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C22H22N4O5/c1-12-5-13(2)7-17(6-12)31-20-18(23)19(24-11-25-20)26-16-9-14(21(27)29-3)8-15(10-16)22(28)30-4/h5-11H,23H2,1-4H3,(H,24,25,26)