Basic information
- CAS
109493-32-5- Standard SMILES
Cc1nc2c(cc1C(=O)N1CCCC1)c(=O)n(C)c(=S)n2Cc1ccccc1- InChIKey
AQPOACVLYRWBOW-UHFFFAOYSA-N- Molecular formula
- C21H22N4O2S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.14634713
Names & identifiers
- Preferred name
- Pyrrolidine, 1-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)-
- IUPAC
- 1-benzyl-3,7-dimethyl-6-(pyrrolidine-1-carbonyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
Names & synonyms
109493-32-5Pyrrolidine, 1-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)-DTXSID00148951RefChem:377880DTXCID70714421-Benzyl-3,7-dimethyl-6-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
109493-32-5- PubChem CID
- 3066089
- DTXSID
DTXSID00148951
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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