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

Systemtic Name: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propyl-pyrimidine-5-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propyl-pyrimidine-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-2-propyl-5-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propylpyrimidine-5-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-2-propyl-pyrimidine-5-carboxamide; fumaric acid Formula: C44H64N8O16 MolecularWeight: 961.02296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC.CCCC1=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

CCCC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC.CCCC1=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/2C16H26N4O2.3C4H4O4/c2*1-4-7-14-17-11-13(16(19-14)22-3)15(21)18-10-12-8-6-9-20(12)5-2;3*5-3(6)1-2-4(7)8/h2*11-12H,4-10H2,1-3H3,(H,18,21);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+