4-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(=O)OC(C)(C)C)CC1)n2Cc1ccccc1- InChIKey
PRACKEMTLUGYOB-UHFFFAOYSA-N- Molecular formula
- C22H28N6O4
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- 4-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL5719159PRACKEMTLUGYOB-UHFFFAOYSA-N4-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl) piperazine-1-carboxylic acid tert-butyl ester4-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester4-[7-(Benzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 23536951
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…