(E)-but-2-enedioic acid; 2-piperazin-1-yl-7H-furo[3,4-d]pyrimidin-5-one

Systemtic Name: (E)-but-2-enedioic acid; 2-piperazin-1-yl-7H-furo[3,4-d]pyrimidin-5-one Openeye Name: fumaric acid; 2-piperazin-1-yl-7H-furo[3,4-d]pyrimidin-5-one CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinyl)-7H-furo[3,4-d]pyrimidin-5-one IUPAC Name: (E)-but-2-enedioic acid; 2-piperazin-1-yl-7H-furo[3,4-d]pyrimidin-5-one Traditional Name: fumaric acid; 2-piperazino-7H-furo[3,4-d]pyrimidin-5-one Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=N2)COC3=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=N2)COC3=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12N4O2.C4H4O4/c15-9-7-5-12-10(13-8(7)6-16-9)14-3-1-11-2-4-14;5-3(6)1-2-4(7)8/h5,11H,1-4,6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+