Basic information
- CAS
76628-76-7- Standard SMILES
COc1ccc(-c2nc(N)nc3c2CN(CCC(=O)O)C3=O)cc1- InChIKey
AJFWNCANXQPRLI-UHFFFAOYSA-N- Molecular formula
- C16H16N4O4
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.117155
Names & identifiers
- Preferred name
- 3-[2-Amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
- IUPAC
- 3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
Names & synonyms
76628-76-73-(2-Amino-4-(4-methoxyphenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propanoic acid3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid3-[3-amino-5-(4-methoxyphenyl)-9-oxo-2,4,8-triazabicyclo[4.3.0]nona-1,3,5-trien-8-yl]propanoic acid3-[2-amino-4-(4-methoxyphenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acidNSC140053DTXSID80300934NSC-140053DS-004720
Database identifiers
- CAS
76628-76-7- PubChem CID
- 284263
- DTXSID
DTXSID80300934
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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