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

Systemtic Name: dimethyl 5-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5-amino-6-chloro-4-pyrimidinyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-amino-6-chloropyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-amino-6-chloro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H13ClN4O4 MolecularWeight: 336.73042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)Cl)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)Cl)N)C(=O)OC

InChI

InChI=1S/C14H13ClN4O4/c1-22-13(20)7-3-8(14(21)23-2)5-9(4-7)19-12-10(16)11(15)17-6-18-12/h3-6H,16H2,1-2H3,(H,17,18,19)