4-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-6-chloro-4-pyrimidinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]benzoic acid Formula: C12H11ClN4O2 MolecularWeight: 278.69434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=NC(=N2)N)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=NC(=N2)N)Cl)C(=O)O

InChI

InChI=1S/C12H11ClN4O2/c13-9-5-10(17-12(14)16-9)15-6-7-1-3-8(4-2-7)11(18)19/h1-5H,6H2,(H,18,19)(H3,14,15,16,17)