5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[3-[4-(2-pyridyl)piperazin-1-yl]propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[3-[4-(2-pyridyl)piperazino]propylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCCN3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C20H25N5OS2/c1-14-15(2)28-19-17(14)18(26)22-20(23-19)27-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-21-16/h3-4,6-7H,5,8-13H2,1-2H3,(H,22,23,26)