5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-6H-Pyrrolo(2,3-d)pyrimidin-6-one (Z)-2-butenedioate (1:1)
[CAS# 122113-45-5]

Identification

• Name: 5,7-dihydro-7-methyl-2-(4-methyl-1-piperazinyl)-6H-Pyrrolo(2,3-d)pyrimidin-6-one (Z)-2-butenedioate (1:1)
• Synonyms: But-2-Enedioic Acid; 7-Methyl-2-(4-Methyl-1-Piperazinyl)-5H-Pyrrolo[5,4-D]Pyrimidin-6-One; 6H-Pyrrolo(2,3-D)Pyrimidin-6-One, 5,7-Dihydro-7-Methyl-2-(4-Methyl-1-Piperazinyl)-, (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₁₆H₂₁N₅O₅
• Molecular Weight: 363.37
• CAS Registry Number: 122113-45-5
• SMILES: C1=C3C(=NC(=N1)N2CCN(CC2)C)N(C(=O)C3)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C12H17N5O.C4H4O4/c1-15-3-5-17(6-4-15)12-13-8-9-7-10(18)16(2)11(9)14-12;5-3(6)1-2-4(7)8/h8H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: FCSMQHXKNDXBCC-WLHGVMLRSA-N

Properties

• Boiling point: 512.2°C at 760 mmHg (Cal.)
• Flash point: 263.6°C (Cal.)