3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-one
Basic information
- Standard SMILES
Cc1sc2nc(SCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c2c1C- InChIKey
VWVPNALHKWLANG-UHFFFAOYSA-N- Molecular formula
- C24H28N6OS2
- Average molar mass
- 480.7 g/mol
Names & identifiers
- Preferred name
- 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one
Names & synonyms
CHEMBL12768323-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-oneSCHEMBL3682771VWVPNALHKWLANG-UHFFFAOYSA-NBDBM503304603-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno [2,3-d]pyrimidin-4-one
Database identifiers
- PubChem CID
- 11190823
- ChEMBL
CHEMBL1276832
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 730
Related reactions
2 records
Compound notes
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