2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]piperazin-1-yl]pyrimidine Openeye Name: 2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]piperazin-1-yl]pyrimidine CAS Name: 2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]piperazin-1-yl]pyrimidine Traditional Name: 2,4-ditert-butyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfonyl)propyl]piperazino]pyrimidine Formula: C21H35N7O2S MolecularWeight: 449.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCCS(=O)(=O)C3=NC=NN3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CCCS(=O)(=O)C3=NC=NN3

InChI

InChI=1S/C21H35N7O2S/c1-20(2,3)16-14-17(25-18(24-16)21(4,5)6)28-11-9-27(10-12-28)8-7-13-31(29,30)19-22-15-23-26-19/h14-15H,7-13H2,1-6H3,(H,22,23,26)