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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H27N5O2 MolecularWeight: 405.49278

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-14(2)12-30-23(29)17-5-7-18(8-6-17)27-21-20(24)22(26-13-25-21)28-19-10-15(3)9-16(4)11-19/h5-11,13-14H,12,24H2,1-4H3,(H2,25,26,27,28)