N-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)ethyl)benzamide
Basic information
- CAS
5429-46-9- Standard SMILES
Cn1c(=O)c2[nH]c(CCNC(=O)c3ccccc3)nc2n(C)c1=O- InChIKey
QONYYTKNTAWWBC-UHFFFAOYSA-N- Molecular formula
- C16H17N5O3
- Average molar mass
- 327.34 g/mol
- Monoisotopic mass
- 327.13313942
Names & identifiers
- Preferred name
- N-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)ethyl)benzamide
- IUPAC
- N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamide
- English name
- N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamide
- Molecular formula
- C16H17N5O3
- Molecular weight
- 327.34
Names & synonyms
5429-46-9NSC14143N-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)ethyl)benzamideMLS002638356NSC-14143N-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)ethyl]benzamideNCIStruc1_001085NCIStruc2_000800n-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)ethyl]benzamide6419-51-8CHEMBL1564825SCHEMBL14027410
Show more names
N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamideBenzamide, N-[2-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)ethyl]-
DTXSID00279794HMS3086F21NCI14143CCG-36858NCGC00013181NCGC00013181-02NCGC00096302-01NCI60_000905
Database identifiers
- CAS
5429-46-9- PubChem CID
- 225069
- DTXSID
DTXSID00279794- ChEMBL
CHEMBL1564825
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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