[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H16BrN7O2 MolecularWeight: 418.24794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN7O2/c1-24(2)16-20-13(19-15(18)21-16)8-26-14(25)12-7-11(22-23-12)9-3-5-10(17)6-4-9/h3-7H,8H2,1-2H3,(H,22,23)(H2,18,19,20,21)