2-[3-[2-(2-dimethylaminoethylsulfanyl)-6-thiophen-2-yl-pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-[3-[2-(2-dimethylaminoethylsulfanyl)-6-thiophen-2-yl-pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[3-[2-(2-dimethylaminoethylsulfanyl)-6-(2-thienyl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[[3-[2-(2-dimethylaminoethylthio)-6-thiophen-2-yl-4-pyrimidinyl]phenyl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[3-[2-(2-dimethylaminoethylsulfanyl)-6-thiophen-2-ylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[[4-[3-(2-dimethylaminoethylthio)phenyl]-6-(2-thienyl)pyrimidin-2-yl]thio]ethyl-dimethyl-amine Formula: C22H28N4S3 MolecularWeight: 444.67952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CS3

Isomeric SMILES

CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CS3

InChI

InChI=1S/C22H28N4S3/c1-25(2)10-13-27-18-8-5-7-17(15-18)19-16-20(21-9-6-12-28-21)24-22(23-19)29-14-11-26(3)4/h5-9,12,15-16H,10-11,13-14H2,1-4H3