[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloranylpyridine-4-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloranylpyridine-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C12H13ClN6O2 MolecularWeight: 308.72362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C12H13ClN6O2/c1-19(2)12-17-9(16-11(14)18-12)6-21-10(20)7-3-4-15-8(13)5-7/h3-5H,6H2,1-2H3,(H2,14,16,17,18)