5-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[3-[4-(2,6-ditert-butyl-4-pyrimidinyl)-1-piperazinyl]propylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazino]propylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C21H35N7S2 MolecularWeight: 449.6795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCCSC3=NN=C(S3)N

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCCSC3=NN=C(S3)N

InChI

InChI=1S/C21H35N7S2/c1-20(2,3)15-14-16(24-17(23-15)21(4,5)6)28-11-9-27(10-12-28)8-7-13-29-19-26-25-18(22)30-19/h14H,7-13H2,1-6H3,(H2,22,25)