methyl 2-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl 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)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N(C)C3=CC=CC=C3C(=O)OC

InChI

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