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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

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