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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-bromanylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-bromobenzoate CAS Name: 3-bromobenzoic 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 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O2/c1-11-5-2-3-8-14(11)21-18-23-15(22-17(20)24-18)10-26-16(25)12-6-4-7-13(19)9-12/h2-9H,10H2,1H3,(H3,20,21,22,23,24)