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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic 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 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H20N8O2 MolecularWeight: 404.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N)N=N1

InChI

InChI=1S/C20H20N8O2/c1-3-28-16-9-8-13(10-15(16)26-27-28)18(29)30-11-17-23-19(21)25-20(24-17)22-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H3,21,22,23,24,25)