(E)-but-2-enedioic acid; pyrimidin-2-ylmethanamine

Systemtic Name: (E)-but-2-enedioic acid; pyrimidin-2-ylmethanamine Openeye Name: fumaric acid; pyrimidin-2-ylmethanamine CAS Name: (E)-2-butenedioic acid; 2-pyrimidinylmethanamine IUPAC Name: (E)-but-2-enedioic acid; pyrimidin-2-ylmethanamine Traditional Name: fumaric acid; 2-pyrimidylmethylamine Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H7N3.C4H4O4/c6-4-5-7-2-1-3-8-5;5-3(6)1-2-4(7)8/h1-3H,4,6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+