4,6-bis[4-(2-piperidin-1-ylethylsulfanyl)phenyl]pyrimidine dihydrobromide

Systemtic Name: 4,6-bis[4-(2-piperidin-1-ylethylsulfanyl)phenyl]pyrimidine dihydrobromide Openeye Name: 4,6-bis[4-[2-(1-piperidyl)ethylsulfanyl]phenyl]pyrimidine dihydrobromide CAS Name: 4,6-bis[4-[2-(1-piperidinyl)ethylthio]phenyl]pyrimidine dihydrobromide IUPAC Name: 4,6-bis[4-(2-piperidin-1-ylethylsulfanyl)phenyl]pyrimidine dihydrobromide Traditional Name: 4,6-bis[4-(2-piperidinoethylthio)phenyl]pyrimidine dihydrobromide Formula: C30H40Br2N4S2 MolecularWeight: 680.6034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=CC=C(C=C2)C3=CC(=NC=N3)C4=CC=C(C=C4)SCCN5CCCCC5.Br.Br

Isomeric SMILES

C1CCN(CC1)CCSC2=CC=C(C=C2)C3=CC(=NC=N3)C4=CC=C(C=C4)SCCN5CCCCC5.Br.Br

InChI

InChI=1S/C30H38N4S2.2BrH/c1-3-15-33(16-4-1)19-21-35-27-11-7-25(8-12-27)29-23-30(32-24-31-29)26-9-13-28(14-10-26)36-22-20-34-17-5-2-6-18-34;;/h7-14,23-24H,1-6,15-22H2;2*1H