5-(Anthraquinon-1-ylazo)barbituric acid
Basic information
- CAS
13325-57-0- Standard SMILES
O=C1NC(=O)C(N=Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)N1- InChIKey
MBOXEZSDSMZDMX-UHFFFAOYSA-N- Molecular formula
- C18H10N4O5
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.06511943
Names & identifiers
- Preferred name
- 5-(Anthraquinon-1-ylazo)barbituric acid
- IUPAC
- 5-[(9,10-dioxoanthracen-1-yl)diazenyl]-1,3-diazinane-2,4,6-trione
- English name
- 5-(anthraquinon-1-ylazo)barbituric acid
- Molecular formula
- C18H10N4O5
- Molecular weight
- 362.3
Names & synonyms
5-(Anthraquinon-1-ylazo)barbituric acid13325-57-0EINECS 236-366-55-[(9,10-dioxoanthracen-1-yl)diazenyl]-1,3-diazinane-2,4,6-trioneSCHEMBL28543349MBOXEZSDSMZDMX-UHFFFAOYSA-NDTXSID701126426NS000523095-[(9,10-Dioxo-9,10-dihydroanthracen-1-yl)diazenyl]-1,3-diazinane-2,4,6-trione5-[2-(9,10-Dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione5-(1-Anthraquinonylazo)barbituric acid5-[(9,10-Dihydro-9,10-dioxoanthracen-1-yl)azo]barbituric acid
Show more names
5-[(9,10-Dihydro-9,10-dioxoanthracen-1-yl)azo]-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-
Database identifiers
- CAS
13325-57-0- PubChem CID
- 83345
- DTXSID
DTXSID701126426- EC Number
- 236-366-5
- Nikkaji
- J213.844A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 728
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Related reactions
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Compound notes
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