Basic information
- Standard SMILES
CCCn1c(=O)cc(SC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O- InChIKey
JSGUZLOESWCHLH-UHFFFAOYSA-N- Molecular formula
- C22H22N6O2S
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.15249514
Names & identifiers
- Preferred name
- 6-Methylthio-3-propyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-methylsulfanyl-3-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL8544293JSGUZLOESWCHLH-UHFFFAOYSA-N6-Methylthio-3-propyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidine -2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 19811549
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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