[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C17H17N7O2 MolecularWeight: 351.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H17N7O2/c1-2-11-5-3-4-6-12(11)21-17-23-14(22-16(18)24-17)10-26-15(25)13-9-19-7-8-20-13/h3-9H,2,10H2,1H3,(H3,18,21,22,23,24)