(E)-but-2-enedioic acid; pyrimidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; pyrimidin-4-amine Openeye Name: fumaric acid; pyrimidin-4-amine CAS Name: (E)-2-butenedioic acid; 4-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; pyrimidin-4-amine Traditional Name: fumaric acid; 4-pyrimidylamine Formula: C8H9N3O4 MolecularWeight: 211.17476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CN=C1N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H5N3.C4H4O4/c5-4-1-2-6-3-7-4;5-3(6)1-2-4(7)8/h1-3H,(H2,5,6,7);1-2H,(H,5,6)(H,7,8)/b;2-1+