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

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

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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)OC)N

Isomeric SMILES

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

InChI

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