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

Systemtic Name: (Z)-but-2-enedioic acid; 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: maleic acid; 7-methyl-2-(1-piperidyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (Z)-2-butenedioic acid; 7-methyl-2-(1-piperidinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (Z)-but-2-enedioic acid; 7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: maleic acid; 7-methyl-2-piperidino-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=CN=C(N=C21)N3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=O)CC2=CN=C(N=C21)N3CCCCC3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N4O.C4H4O4/c1-15-10(17)7-9-8-13-12(14-11(9)15)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h8H,2-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-