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

Systemtic Name: (E)-but-2-enedioic acid; 7-methyl-2-pyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: fumaric acid; 7-methyl-2-pyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (E)-2-butenedioic acid; 7-methyl-2-(1-pyrrolidinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (E)-but-2-enedioic acid; 7-methyl-2-pyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: fumaric acid; 7-methyl-2-pyrrolidino-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C19H22N4O9 MolecularWeight: 450.39938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=CN=C(N=C21)N3CCCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=NC(=NC=C2CC1=O)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14N4O.2C4H4O4/c1-14-9(16)6-8-7-12-11(13-10(8)14)15-4-2-3-5-15;2*5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+