[6-bromanyl-4-(phenylmethyl)-1,2,4-triazin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-bromanyl-4-(phenylmethyl)-1,2,4-triazin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: (4-benzyl-6-bromo-1,2,4-triazin-1-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-bromo-4-(phenylmethyl)-1,2,4-triazin-1-yl]methyl ester IUPAC Name: (4-benzyl-6-bromo-1,2,4-triazin-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-benzyl-6-bromo-1,2,4-triazin-1-yl)methyl ester Formula: C16H20BrN3O2 MolecularWeight: 366.2529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=CN(C=N1)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=CN(C=N1)CC2=CC=CC=C2)Br

InChI

InChI=1S/C16H20BrN3O2/c1-16(2,3)15(21)22-12-20-14(17)10-19(11-18-20)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3