methyl 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]benzoate

Systemtic Name: methyl 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]benzoate Openeye Name: methyl 2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]benzoate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzoate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)amino]benzoic acid methyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H11N5O2/c1-20-12(19)9-4-2-3-5-10(9)17-13-16-7-8(6-14)11(15)18-13/h2-5,7H,1H3,(H3,15,16,17,18)