(E)-but-2-enedioic acid; 3-piperazin-1-ylpyrido[2,3-b]pyrazine; hydrate

Systemtic Name: (E)-but-2-enedioic acid; 3-piperazin-1-ylpyrido[2,3-b]pyrazine; hydrate Openeye Name: fumaric acid; 3-piperazin-1-ylpyrido[2,3-b]pyrazine; hydrate CAS Name: (E)-2-butenedioic acid; 3-(1-piperazinyl)pyrido[2,3-b]pyrazine; hydrate IUPAC Name: (E)-but-2-enedioic acid; 3-piperazin-1-ylpyrido[2,3-b]pyrazine; hydrate Traditional Name: fumaric acid; 3-piperazinopyrido[2,3-b]pyrazine; hydrate Formula: C15H19N5O5 MolecularWeight: 349.34186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=C3C=CC=NC3=N2.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

C1CN(CCN1)C2=CN=C3C=CC=NC3=N2.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C11H13N5.C4H4O4.H2O/c1-2-9-11(13-3-1)15-10(8-14-9)16-6-4-12-5-7-16;5-3(6)1-2-4(7)8;/h1-3,8,12H,4-7H2;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;