Basic information
- CAS
64233-17-6- Standard SMILES
COc1cc(-c2cnc3c(n2)c(=O)[nH]c(=O)n3C)ccc1O- InChIKey
DAJYZYCUKBMTJH-UHFFFAOYSA-N- Molecular formula
- C14H12N4O4
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.08585488
Names & identifiers
- Preferred name
- 6-(4-Hydroxy-3-methoxyphenyl)-1-methylpteridine-2,4-dione
- IUPAC
- 6-(4-hydroxy-3-methoxyphenyl)-1-methylpteridine-2,4-dione
Names & synonyms
NSC28179264233-17-6DTXSID10418495NSC-281792DS-0035272,4(1H,3H)-PTERIDINEDIONE,6-(4-HYDROXY-3-METHOXYPHENYL)-1-METHYL-(6E)-6-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1-methyl-5,6-dihydropteridine-2,4(1H,3H)-dione
Database identifiers
- CAS
64233-17-6- PubChem CID
- 323065
- DTXSID
DTXSID10418495
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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