Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3CC2CC2)n1
InChI=1S/C28H27N5O2/c1-3-21-14-25(26-13-4-17(2)35-26)33(31-21)22-11-12-24-23(15-22)30-28(32(24)16-18-5-6-18)20-9-7-19(8-10-20)27(29)34/h4,7-15,18H,3,5-6,16H2,1-2H3,(H2,29,34)
VYFGSQZGDBSTLC-UHFFFAOYSA-N
465.56