methyl 4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-12-8-13(2)10-16(9-12)25-19-17(21)18(22-11-23-19)24-15-6-4-14(5-7-15)20(26)27-3/h4-11H,21H2,1-3H3,(H2,22,23,24,25)