(E)-but-2-enedioic acid; 2-[4-[(3-thiophen-2-ylphenyl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-[(3-thiophen-2-ylphenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: fumaric acid; 2-[4-[[3-(2-thienyl)phenyl]methyl]piperazin-1-yl]pyrimidine CAS Name: (E)-2-butenedioic acid; 2-[4-[(3-thiophen-2-ylphenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: (E)-but-2-enedioic acid; 2-[4-[(3-thiophen-2-ylphenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: fumaric acid; 2-[4-[3-(2-thienyl)benzyl]piperazino]pyrimidine Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CS3)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C3=CC=CS3)C4=NC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H20N4S.C4H4O4/c1-4-16(14-17(5-1)18-6-2-13-24-18)15-22-9-11-23(12-10-22)19-20-7-3-8-21-19;5-3(6)1-2-4(7)8/h1-8,13-14H,9-12,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+