5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]thieno[2,3-d]pyrimidine Formula: C18H17F3N4O2S2 MolecularWeight: 442.47839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O2S2/c1-12-10-28-17-15(12)16(22-11-23-17)24-5-7-25(8-6-24)29(26,27)14-4-2-3-13(9-14)18(19,20)21/h2-4,9-11H,5-8H2,1H3