5-pyridin-4-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-pyridin-4-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-pyridyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-pyridin-4-yl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-pyridin-4-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-pyridyl)-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C16H17N7OS MolecularWeight: 355.41748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=NC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=NC=C3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N7OS/c25-16-23(20-14(24-16)13-2-6-17-7-3-13)12-21-8-10-22(11-9-21)15-18-4-1-5-19-15/h1-7H,8-12H2