N-benzyl-2-(8-(benzylamino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
Basic information
- CAS
107608-72-0- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(=O)NCc1ccccc1- InChIKey
PYJRZVNILXAZAB-UHFFFAOYSA-N- Molecular formula
- C22H22N6O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.17533859
Names & identifiers
- Preferred name
- N-benzyl-2-(8-(benzylamino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
- IUPAC
- N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
Names & synonyms
N-benzyl-2-(8-(benzylamino)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamideOprea1_005532Oprea1_186033AKOS000580909SR-01000361393SR-01000361393-1N-BENZYL-2-(8-BENZYLAMINO-3-METHYL-2,6-DIOXO-1,2,3,6-4H-PURIN-7-YL)-ACETAMIDE
Database identifiers
- CAS
107608-72-0- PubChem CID
- 985871
- EC Number
- 168-460-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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