3-ethyl-7-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 3-ethyl-7-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-ethyl-7-[4-(2-thienylsulfonyl)piperazin-1-yl]triazolo[4,5-d]pyrimidine CAS Name: 3-ethyl-7-(4-thiophen-2-ylsulfonyl-1-piperazinyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-ethyl-7-(4-thiophen-2-ylsulfonylpiperazin-1-yl)triazolo[4,5-d]pyrimidine Traditional Name: 3-ethyl-7-[4-(2-thienylsulfonyl)piperazino]triazolo[4,5-d]pyrimidine Formula: C14H17N7O2S2 MolecularWeight: 379.46048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N=N1

Isomeric SMILES

CCN1C2=C(C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N=N1

InChI

InChI=1S/C14H17N7O2S2/c1-2-21-14-12(17-18-21)13(15-10-16-14)19-5-7-20(8-6-19)25(22,23)11-4-3-9-24-11/h3-4,9-10H,2,5-8H2,1H3