[9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
Basic information
- CAS
937599-53-6- Standard SMILES
COc1ccc(-n2cnc3c(=O)n(CC(=O)O)cnc32)cc1- InChIKey
LSFCIDAFGLNMTC-UHFFFAOYSA-N- Molecular formula
- C14H12N4O4
- Average molar mass
- 300.27 g/mol
Names & identifiers
- Preferred name
- [9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
- IUPAC
- 2-[9-(4-methoxyphenyl)-6-oxopurin-1-yl]acetic acid
- English name
- [9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
- Molecular formula
- C14H12N4O4
- Molecular weight
- 300.27
Names & synonyms
937599-53-6[9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid2-(9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl)acetic acid2-[9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1h-purin-1-yl]acetic acid2-[9-(4-methoxyphenyl)-6-oxopurin-1-yl]acetic acidMFCD085562142-[9-(4-methoxyphenyl)-6-oxohydropurinyl]acetic acidMMB59953SBB023992STK351040AKOS000313701ST093675
Show more names
1H-Purine-1-acetic acid, 6,9-dihydro-9-(4-methoxyphenyl)-6-oxo-
CS-0240979EN300-2308312-[9-(4-methoxyphenyl)-6-oxo-purin-1-yl]acetic acid2-(9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl)aceticacid
Database identifiers
- CAS
937599-53-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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