[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-bromo-2-(tetrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-bromo-2-(1-tetrazolyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-bromo-2-(tetrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-bromo-2-(tetrazol-1-yl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H15BrN8O MolecularWeight: 415.2473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)Br)N4C=NN=N4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)Br)N4C=NN=N4

InChI

InChI=1S/C16H15BrN8O/c17-12-2-3-14(25-11-20-21-22-25)13(10-12)15(26)23-6-8-24(9-7-23)16-18-4-1-5-19-16/h1-5,10-11H,6-9H2