(E)-but-2-enedioic acid; 7-(2-methoxyethyl)-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: (E)-but-2-enedioic acid; 7-(2-methoxyethyl)-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: fumaric acid; 7-(2-methoxyethyl)-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (E)-2-butenedioic acid; 7-(2-methoxyethyl)-2-(1-piperazinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (E)-but-2-enedioic acid; 7-(2-methoxyethyl)-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: fumaric acid; 7-(2-methoxyethyl)-2-piperazino-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)CC2=CN=C(N=C21)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COCCN1C(=O)CC2=CN=C(N=C21)N3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19N5O2.C4H4O4/c1-20-7-6-18-11(19)8-10-9-15-13(16-12(10)18)17-4-2-14-3-5-17;5-3(6)1-2-4(7)8/h9,14H,2-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+