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
COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)NCC4CCCO4)cc3)c2cc1C(N)=O
InChI=1S/C27H28N6O5/c1-33-15-21(27(35)30-14-18-4-3-11-37-18)26(32-33)31-16-5-7-17(8-6-16)38-23-9-10-29-22-13-24(36-2)20(25(28)34)12-19(22)23/h5-10,12-13,15,18H,3-4,11,14H2,1-2H3,(H2,28,34)(H,30,35)(H,31,32)
RTKOXUOMKGCIJM-UHFFFAOYSA-N
516.56