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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H15N7O2/c1-10-4-2-3-5-11(10)20-16-22-13(21-15(17)23-16)9-25-14(24)12-8-18-6-7-19-12/h2-8H,9H2,1H3,(H3,17,20,21,22,23)