2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C17H23N7O2S2 MolecularWeight: 421.54022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H23N7O2S2/c25-14(23-6-8-24(9-7-23)15-18-4-2-5-19-15)12-27-17-22-21-16(28-17)20-11-13-3-1-10-26-13/h2,4-5,13H,1,3,6-12H2,(H,20,21)