1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

Systemtic Name: 1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone Openeye Name: 1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone CAS Name: 1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone IUPAC Name: 1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone Traditional Name: 1-[(7S)-7-(3-bromophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone Formula: C14H13BrN4O MolecularWeight: 333.18322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)Br)C(=O)C

Isomeric SMILES

CC1=C([C@@H](N2C(=N1)N=CN2)C3=CC(=CC=C3)Br)C(=O)C

InChI

InChI=1S/C14H13BrN4O/c1-8-12(9(2)20)13(10-4-3-5-11(15)6-10)19-14(18-8)16-7-17-19/h3-7,13H,1-2H3,(H,16,17,18)/t13-/m0/s1