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

Systemtic Name: dimethyl 5-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C22H23N5O4/c1-12-5-13(2)7-16(6-12)26-19-18(23)20(25-11-24-19)27-17-9-14(21(28)30-3)8-15(10-17)22(29)31-4/h5-11H,23H2,1-4H3,(H2,24,25,26,27)