dimethyl 5-[[5-azanyl-6-[ethyl(phenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-[ethyl(phenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(N-ethylanilino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-4-27(17-8-6-5-7-9-17)20-18(23)19(24-13-25-20)26-16-11-14(21(28)30-2)10-15(12-16)22(29)31-3/h5-13H,4,23H2,1-3H3,(H,24,25,26)