ethyl 3-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-amino-6-(2-ethylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-3-14-8-5-6-11-17(14)26-20-18(22)19(23-13-24-20)25-16-10-7-9-15(12-16)21(27)28-4-2/h5-13H,3-4,22H2,1-2H3,(H2,23,24,25,26)