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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)N

InChI

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