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

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

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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)OC

Isomeric SMILES

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

InChI

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