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

Systemtic Name: 2-[4-[2-(2-dimethylaminoethylsulfanyl)-6-(furan-2-yl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[4-[2-(2-dimethylaminoethylsulfanyl)-6-(2-furyl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[[4-[2-(2-dimethylaminoethylthio)-6-(2-furanyl)-4-pyrimidinyl]phenyl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[4-[2-(2-dimethylaminoethylsulfanyl)-6-(furan-2-yl)pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[[4-[2-(2-dimethylaminoethylthio)-6-(2-furyl)pyrimidin-4-yl]phenyl]thio]ethyl-dimethyl-amine Formula: C22H28N4OS2 MolecularWeight: 428.61392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CO3

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC=CO3

InChI

InChI=1S/C22H28N4OS2/c1-25(2)11-14-28-18-9-7-17(8-10-18)19-16-20(21-6-5-13-27-21)24-22(23-19)29-15-12-26(3)4/h5-10,13,16H,11-12,14-15H2,1-4H3