2-methylpropyl 4-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(2-ethylanilino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

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