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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)Br

InChI

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