6-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-7H-purin-2-amine

Systemtic Name: 6-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-7H-purin-2-amine Openeye Name: 6-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-7H-purin-2-amine CAS Name: 6-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-7H-purin-2-amine IUPAC Name: 6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-7H-purin-2-amine Traditional Name: [6-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-7H-purin-2-yl]amine Formula: C13H14BrN7O2S2 MolecularWeight: 444.32996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C13H14BrN7O2S2/c14-8-1-2-9(24-8)25(22,23)21-5-3-20(4-6-21)12-10-11(17-7-16-10)18-13(15)19-12/h1-2,7H,3-6H2,(H3,15,16,17,18,19)