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

Systemtic Name: 3-methyl-7-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-methyl-7-[4-(2-thienylsulfonyl)piperazin-1-yl]triazolo[4,5-d]pyrimidine CAS Name: 3-methyl-7-(4-thiophen-2-ylsulfonyl-1-piperazinyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-methyl-7-(4-thiophen-2-ylsulfonylpiperazin-1-yl)triazolo[4,5-d]pyrimidine Traditional Name: 3-methyl-7-[4-(2-thienylsulfonyl)piperazino]triazolo[4,5-d]pyrimidine Formula: C13H15N7O2S2 MolecularWeight: 365.4339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N=N1

Isomeric SMILES

CN1C2=C(C(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N=N1

InChI

InChI=1S/C13H15N7O2S2/c1-18-12-11(16-17-18)13(15-9-14-12)19-4-6-20(7-5-19)24(21,22)10-3-2-8-23-10/h2-3,8-9H,4-7H2,1H3