(E)-but-2-enedioic acid; 7H-purin-6-amine

Systemtic Name: (E)-but-2-enedioic acid; 7H-purin-6-amine Openeye Name: fumaric acid; 7H-purin-6-amine CAS Name: (E)-2-butenedioic acid; 7H-purin-6-amine IUPAC Name: (E)-but-2-enedioic acid; 7H-purin-6-amine Traditional Name: 7H-adenine; fumaric acid Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H5N5.C4H4O4/c6-4-3-5(9-1-7-3)10-2-8-4;5-3(6)1-2-4(7)8/h1-2H,(H3,6,7,8,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+