Basic information
- Standard SMILES
CN(C)Cc1cnc2cccc(SCCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)n12.Cl.Cl- InChIKey
ZZDSFXXLYZOYBQ-UHFFFAOYSA-N- Molecular formula
- C27H33Cl2N5O4S2
- Average molar mass
- 626.6 g/mol
- Monoisotopic mass
- 625.1351023
Names & identifiers
- Preferred name
- 7-[4-(3-dimethylaminomethylimidazo[1,2-a]pyridin-5-ylthio)butyl]1,1-dioxo-9-phenyl-3,4-dihydro-2H,6H-pyrimido[6,1-b][1,3]thiazine-6,8(7H)-dione dihydrochloride
- IUPAC
- 7-[4-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-5-yl]sulfanylbutyl]-1,1-dioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione;dihydrochloride
Names & synonyms
SCHEMBL7843671ZZDSFXXLYZOYBQ-UHFFFAOYSA-N7-[4-(3-dimethylaminomethylimidazo[1,2-a]pyridin-5-ylthio)butyl]1,1-dioxo-9-phenyl-3,4-dihydro-2H,6H-pyrimido[6,1-b][1,3]thiazine-6,8(7H)-dione dihydrochloride
Database identifiers
- PubChem CID
- 18936849
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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