(E)-but-2-enedioic acid; 4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbaldehyde Openeye Name: fumaric acid; 4-[2-(1-piperidyl)pyrimidin-4-yl]piperazine-1-carbaldehyde CAS Name: (E)-2-butenedioic acid; 4-[2-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbaldehyde Traditional Name: fumaric acid; 4-(2-piperidinopyrimidin-4-yl)piperazine-1-carbaldehyde Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=CC(=N2)N3CCN(CC3)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NC=CC(=N2)N3CCN(CC3)C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21N5O.C4H4O4/c20-12-17-8-10-18(11-9-17)13-4-5-15-14(16-13)19-6-2-1-3-7-19;5-3(6)1-2-4(7)8/h4-5,12H,1-3,6-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+