Registration Dossier
Registration Dossier
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EC number: 253-256-2 | CAS number: 36888-99-0
Reference substances
- IUPAC name:
- 5,5'-(1H-isoindole-1,3(2H)-diylidene)dipyrimidine-2,4,6(1H,3H,5H)-trione
Inventory
- EC number:
- 253-256-2
- EC name:
- 5,5'-(1H-isoindole-1,3(2H)-diylidene)dibarbituric acid
- CAS number:
- 36888-99-0
- CAS number:
- 36888-99-0
Synonyms
- Names:
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-
- Identifier:
- IUPAC name
- 5,5'-(1H-isoindole-1,3(2H)-diylidene)dibarbituric acid
- Identifier:
- IUPAC name
- 5,5'-(1H-isoindole-1,3(2H)-diylidene)dipyrimidine-2,4,6(1H,3H,5H)-trione
- Identifier:
- other: Molecular formula
- C16H9N5O6
- Identifier:
- other: InChl
- InChI=1/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)
- Identifier:
- other: InChl
- InChI=1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)
- Identifier:
- other: SMILES notation
- O=C1NC(=O)C(=C2NC(=C3C(=O)NC(=O)NC3=O)c4ccccc24)C(=O)N1
- Identifier:
- other: SMILES notation
- O=C1NC(=O)C(=C2NC(C3=C2C=CC=C3)=C2C(=O)NC(=O)NC2=O)C(=O)N1
- 5,5'-(1H-isoindole-1,3(2H)-diylidene)dipyrimidine-2,4,6(1H,3H,5H)-trione
Molecular and structural information
- Molecular formula:
- C16H9N5O6
- Molecular weight:
- 367.273
- SMILES notation:
- O=C1NC(=O)C(=C2NC(=C3C(=O)NC(=O)NC3=O)c4ccccc24)C(=O)N1
- InChl:
- InChI=1/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)
- Structural formula:
Related substances
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