4(3H)-Quinazolinone, 2-(((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)methyl)-3-o-tolyl-, monohydrobromide
Basic information
- CAS
61554-95-8- Standard SMILES
Br.Cc1ccccc1-n1c(CSC2=NCCCN2)nc2ccccc2c1=O- InChIKey
KPXBIIMXVANZCX-UHFFFAOYSA-N- Molecular formula
- C20H21BrN4OS
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.06195
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-(((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)methyl)-3-o-tolyl-, monohydrobromide
- IUPAC
- 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide
Names & synonyms
4(3H)-Quinazolinone, 2-(((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)methyl)-3-o-tolyl-, monohydrobromide61554-95-8DTXSID80210549RefChem:283773DTXCID60133040CHEMBL32512653-(2-Methylphenyl)-2-{[(1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one--hydrogen bromide (1/1)
Database identifiers
- CAS
61554-95-8- PubChem CID
- 63251
- DTXSID
DTXSID80210549- ChEMBL
CHEMBL3251265
Properties
Computed structural properties
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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