2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[3-[4-(2-quinolyl)piperazino]propylthio]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC(=O)C3=C(N2)C=CS3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC(=O)C3=C(N2)C=CS3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H23N5OS2/c28-21-20-18(8-15-29-20)24-22(25-21)30-14-3-9-26-10-12-27(13-11-26)19-7-6-16-4-1-2-5-17(16)23-19/h1-2,4-8,15H,3,9-14H2,(H,24,25,28)