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
CCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(OC)c4)cc23)C1
InChI=1S/C20H23N5O3S/c1-4-17(26)25-6-5-13(10-25)24-18-14-8-16(29-20(14)23-11-22-18)12-7-15(27-2)19(28-3)21-9-12/h7-9,11,13H,4-6,10H2,1-3H3,(H,22,23,24)/t13-/m0/s1
RQDDWMKILMSXBN-ZDUSSCGKSA-N
413.5