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

Systemtic Name: dimethyl 5-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)N

InChI

InChI=1S/C21H21N5O5/c1-29-16-6-4-5-14(10-16)25-18-17(22)19(24-11-23-18)26-15-8-12(20(27)30-2)7-13(9-15)21(28)31-3/h4-11H,22H2,1-3H3,(H2,23,24,25,26)