Basic information
- Standard SMILES
CCCCn1ccc(Cc2cnc(NCCSCc3cc(CN(C)C)ccn3)[nH]c2=O)cc1=O- InChIKey
SYRRWLSTORRYBD-UHFFFAOYSA-N- Molecular formula
- C25H34N6O2S
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24639552
Names & identifiers
- Preferred name
- 2-[2-[4-(Dimethylaminomethyl)pyrid-2-ylmethylthio]ethylamino]-5-(1-n-butyl-2-oxopyridin-4-ylmethyl)pyrimidin-4-one
- IUPAC
- 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-[2-[[4-[(dimethylamino)methyl]-2-pyridinyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL10377104SYRRWLSTORRYBD-UHFFFAOYSA-N2-[2-[4-(Dimethylaminomethyl)pyrid-2-ylmethylthio]ethylamino]-5-(1-n-butyl-2-oxopyridin-4-ylmethyl)pyrimidin-4-one
Database identifiers
- PubChem CID
- 20267151
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 835
Related reactions
2 records
Compound notes
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