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

Systemtic Name: ethyl 2-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(4-ethylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-amino-6-(4-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=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)N

InChI

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