ethyl 4-[[6-azanyl-5-(methylsulfonylamino)-1,2,4-triazin-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-azanyl-5-(methylsulfonylamino)-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: ethyl 4-[[6-amino-5-(methanesulfonamido)-1,2,4-triazin-3-yl]amino]benzoate CAS Name: 4-[[6-amino-5-(methanesulfonamido)-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-(methanesulfonamido)-1,2,4-triazin-3-yl]amino]benzoate Traditional Name: 4-[[6-amino-5-(methanesulfonamido)-1,2,4-triazin-3-yl]amino]benzoic acid ethyl ester Formula: C13H16N6O4S MolecularWeight: 352.36894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(N=N2)N)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(N=N2)N)NS(=O)(=O)C

InChI

InChI=1S/C13H16N6O4S/c1-3-23-12(20)8-4-6-9(7-5-8)15-13-16-11(10(14)17-18-13)19-24(2,21)22/h4-7H,3H2,1-2H3,(H2,14,17)(H2,15,16,18,19)