N-(4-bromophenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

Systemtic Name: N-(4-bromophenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine Openeye Name: 5-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine CAS Name: N-(4-bromophenyl)-5-[4-(phenylmethyl)-1-piperazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine IUPAC Name: 5-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine Traditional Name: [5-(4-benzylpiperazino)furazano[3,4-b]pyrazin-6-yl]-(4-bromophenyl)amine Formula: C21H20BrN7O MolecularWeight: 466.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=NON=C4N=C3NC5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=NON=C4N=C3NC5=CC=C(C=C5)Br

InChI

InChI=1S/C21H20BrN7O/c22-16-6-8-17(9-7-16)23-20-21(25-19-18(24-20)26-30-27-19)29-12-10-28(11-13-29)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,24,26)