2-[4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(5-fluoranyl-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(5-fluoro-4-methylsulfanyl-pyrimidin-2-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[5-fluoro-4-(methylthio)-2-pyrimidinyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[5-fluoro-4-(methylthio)pyrimidin-2-yl]piperazino]butyl]isoindoline-1,3-quinone Formula: C21H24FN5O2S MolecularWeight: 429.510963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC=C1F)N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=NC(=NC=C1F)N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H24FN5O2S/c1-30-18-17(22)14-23-21(24-18)26-12-10-25(11-13-26)8-4-5-9-27-19(28)15-6-2-3-7-16(15)20(27)29/h2-3,6-7,14H,4-5,8-13H2,1H3