The whole name is almost as catchy as "SMILES". I used to think it was a strange way of representing molecules for computers. But it actually seems like a more straight forward way than IUPAC nomenclature. It's also shorter, and there's a possibility to have unique names. (It's more difficult to pronounce though.)
You can try out SMILES strings at this page it's kind of fun. How to do it is described on wikipedia for example.
Ethane is just CC.
Add double and triple bonds like this:
C#CC=C for butenyne.
Add a branch in parentheses:
CC(C)CCC for 2-Methyl-n-pentane
If you want a ring add a number after the two atoms to be joined together:
C1C(C)CCC1 for Methyl-cyclo-pentane
Add a pyridyl group to the C next to the methyl group (aromatic atoms are written in lower case, and you have to include a second ring closure)
C1(c2ncccc2)C(C)CCC1 for (2-Pyridyl-)-2-methyl-c-pentane
You can add an extra oxirane ring:
You can mess with stereochemistry (using @ and @@)
If you still haven't had enough, you can add a double bond in E configuration to the pyridyl ring:
or Z configuration
Macrocycles, flexibility and biological activity: A tortuous pairing - Here's an interesting paper from the Jacobson, Wells and Walsh labs at UCSF and Stanford that seeks to demonstrate how restricting the flexibility of macr...
3 days ago