5-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-(4-methyl-1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C17H18BrN4S+ MolecularWeight: 390.32062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H17BrN4S/c1-21-6-8-22(9-7-21)16-15-14(10-23-17(15)20-11-19-16)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3/p+1