Compound C20H21BrN4OS
3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 445.4 g/mol |
| Topological Polar Surface Area | 82.4 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 61554-95-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCCN4.Br |
| InChIKey | KPXBIIMXVANZCX-UHFFFAOYSA-N |
📖 Product Overview
Compound C20H21BrN4OS (CAS: 61554-95-8) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 445.4 g/mol. Its IUPAC systematic name is 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one;hydrobromide.
KPXBIIMXVANZCX-UHFFFAOYSA-N.
SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCCN4.Br.
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