(E)-but-2-enedioic acid; 2-[3-[4-(4-fluoranylphenoxy)piperidin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-[4-(4-fluoranylphenoxy)piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: 2-[3-[4-(4-fluorophenoxy)-1-piperidyl]propylamino]pyrimidine-4-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[3-[4-(4-fluorophenoxy)-1-piperidinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: 2-[3-[4-(4-fluorophenoxy)piperidino]propylamino]pyrimidine-4-carboxamide; fumaric acid Formula: C23H28FN5O6 MolecularWeight: 489.496723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)F)CCCNC3=NC=CC(=N3)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)F)CCCNC3=NC=CC(=N3)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24FN5O2.C4H4O4/c20-14-2-4-15(5-3-14)27-16-7-12-25(13-8-16)11-1-9-22-19-23-10-6-17(24-19)18(21)26;5-3(6)1-2-4(7)8/h2-6,10,16H,1,7-9,11-13H2,(H2,21,26)(H,22,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+