5,6-dimethyl-2-[(E)-4-(4-quinolin-2-ylpiperazin-1-yl)but-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(E)-4-(4-quinolin-2-ylpiperazin-1-yl)but-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(E)-4-[4-(2-quinolyl)piperazin-1-yl]but-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(E)-4-[4-(2-quinolinyl)-1-piperazinyl]but-2-enyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(E)-4-(4-quinolin-2-ylpiperazin-1-yl)but-2-enyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(E)-4-[4-(2-quinolyl)piperazino]but-2-enyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H27N5OS2 MolecularWeight: 477.64478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC=CCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SC/C=C/CN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C25H27N5OS2/c1-17-18(2)33-24-22(17)23(31)27-25(28-24)32-16-6-5-11-29-12-14-30(15-13-29)21-10-9-19-7-3-4-8-20(19)26-21/h3-10H,11-16H2,1-2H3,(H,27,28,31)/b6-5+