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

Systemtic Name: ethyl 4-[[5,6-bis(azanyl)-1,2,4-triazin-3-yl]amino]benzoate Openeye Name: ethyl 4-[(5,6-diamino-1,2,4-triazin-3-yl)amino]benzoate CAS Name: 4-[(5,6-diamino-1,2,4-triazin-3-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5,6-diamino-1,2,4-triazin-3-yl)amino]benzoate Traditional Name: 4-[(5,6-diamino-1,2,4-triazin-3-yl)amino]benzoic acid ethyl ester Formula: C12H14N6O2 MolecularWeight: 274.27856

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)N

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O2/c1-2-20-11(19)7-3-5-8(6-4-7)15-12-16-9(13)10(14)17-18-12/h3-6H,2H2,1H3,(H2,14,17)(H3,13,15,16,18)