[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-bromanylbenzoate

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-bromanylbenzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C17H13BrClN5O2 MolecularWeight: 434.67442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)Br

InChI

InChI=1S/C17H13BrClN5O2/c18-13-4-2-1-3-12(13)15(25)26-9-14-22-16(20)24-17(23-14)21-11-7-5-10(19)6-8-11/h1-8H,9H2,(H3,20,21,22,23,24)