4-[2-Amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
Basic information
- CAS
76628-79-0- Standard SMILES
COc1ccc(-c2nc(N)nc3c2CN(CCCC(=O)O)C3=O)cc1- InChIKey
OGJOPSQMHFGUBJ-UHFFFAOYSA-N- Molecular formula
- C17H18N4O4
- Average molar mass
- 342.35 g/mol
- Monoisotopic mass
- 342.13280507
Names & identifiers
- Preferred name
- 4-[2-Amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
- IUPAC
- 4-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid
Names & synonyms
76628-79-0NSC1400544-[2-amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid4-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid6H-Pyrrolo[3,4-d]pyrimidine-6-butanoicacid, 2-amino-5,7-dihydro-4-(4-methoxyphenyl)-7-oxo-DTXSID40300935NSC-140054DS-009106
Database identifiers
- CAS
76628-79-0- PubChem CID
- 284264
- DTXSID
DTXSID40300935
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…