5-(tert-butylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(tert-butylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(tert-butylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(tert-butylamino)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(tert-butylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(tert-butylamino)-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C15H23N7S2 MolecularWeight: 365.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H23N7S2/c1-15(2,3)18-13-19-22(14(23)24-13)11-20-7-9-21(10-8-20)12-16-5-4-6-17-12/h4-6H,7-11H2,1-3H3,(H,18,19)