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

Systemtic Name: ethyl 4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-4-27(18-8-6-7-15(3)13-18)21-19(23)20(24-14-25-21)26-17-11-9-16(10-12-17)22(28)29-5-2/h6-14H,4-5,23H2,1-3H3,(H,24,25,26)