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

Systemtic Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H23N7OS2 MolecularWeight: 441.57292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(S3)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(S3)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H23N7OS2/c28-17(26-11-13-27(14-12-26)18-21-8-4-9-22-18)15-29-20-25-24-19(30-20)23-10-7-16-5-2-1-3-6-16/h1-6,8-9H,7,10-15H2,(H,23,24)