(E)-but-2-enedioic acid; 2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-pyrimidine-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-pyrimidine-5-carboxamide Openeye Name: 2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-pyrimidine-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide Traditional Name: 2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-pyrimidine-5-carboxamide; fumaric acid Formula: C42H60N8O16 MolecularWeight: 932.9698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC.CCC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC.CCC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H24N4O2.3C4H4O4/c2*1-4-13-16-10-12(15(18-13)21-3)14(20)17-9-11-7-6-8-19(11)5-2;3*5-3(6)1-2-4(7)8/h2*10-11H,4-9H2,1-3H3,(H,17,20);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+