[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate

Systemtic Name: [4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate Openeye Name: [4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [4,6-bis(2-hydroxyethylamino)-s-triazin-2-yl]methyl ester Formula: C11H16N6O4 MolecularWeight: 296.28254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC1=NC(=NC(=N1)COC(=O)CC#N)NCCO

Isomeric SMILES

C(CO)NC1=NC(=NC(=N1)COC(=O)CC#N)NCCO

InChI

InChI=1S/C11H16N6O4/c12-2-1-9(20)21-7-8-15-10(13-3-5-18)17-11(16-8)14-4-6-19/h18-19H,1,3-7H2,(H2,13,14,15,16,17)