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
CC(C)c1c(Sc2ccc(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]c2nc(N)nc(N)c12
InChI=1S/C22H26N6O5S/c1-10(2)16-17-18(23)26-22(24)28-19(17)27-20(16)34-12-5-3-11(4-6-12)9-14(29)25-13(21(32)33)7-8-15(30)31/h3-6,10,13H,7-9H2,1-2H3,(H,25,29)(H,30,31)(H,32,33)(H5,23,24,26,27,28)/t13-/m0/s1
VITYIWQPGWVLBX-ZDUSSCGKSA-N
486.55