(E)-but-2-enedioic acid; 2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one Openeye Name: fumaric acid; 2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thiazolidin-4-one CAS Name: (E)-2-butenedioic acid; 2-methyl-3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4-thiazolidinone IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one Traditional Name: fumaric acid; 2-methyl-3-[4-[4-(2-pyrimidyl)piperazino]butyl]thiazolidin-4-one Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)CS1)CCCCN2CCN(CC2)C3=NC=CC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1N(C(=O)CS1)CCCCN2CCN(CC2)C3=NC=CC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H25N5OS.C4H4O4/c1-14-21(15(22)13-23-14)8-3-2-7-19-9-11-20(12-10-19)16-17-5-4-6-18-16;5-3(6)1-2-4(7)8/h4-6,14H,2-3,7-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+