1-[4-(2-azanylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone

Systemtic Name: 1-[4-(2-azanylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone Openeye Name: 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-bromophenoxy)ethanone CAS Name: 1-[4-(2-amino-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-2-(4-bromophenoxy)ethanone IUPAC Name: 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-bromophenoxy)ethanone Traditional Name: 1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazino]-2-(4-bromophenoxy)ethanone Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC(=N2)N)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC(=N2)N)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H18BrN5O2S/c19-12-1-3-13(4-2-12)26-11-15(25)23-6-8-24(9-7-23)16-14-5-10-27-17(14)22-18(20)21-16/h1-5,10H,6-9,11H2,(H2,20,21,22)