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

Systemtic Name: methyl 2-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(2-ethylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21N5O2/c1-3-13-8-4-6-10-15(13)24-18-17(21)19(23-12-22-18)25-16-11-7-5-9-14(16)20(26)27-2/h4-12H,3,21H2,1-2H3,(H2,22,23,24,25)