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
C=CC(=O)N1CCC(Nc2ncnc3[nH]cc(C(=O)N4CC(Oc5ccccc5)C4)c23)CC1
InChI=1S/C24H26N6O3/c1-2-20(31)29-10-8-16(9-11-29)28-23-21-19(12-25-22(21)26-15-27-23)24(32)30-13-18(14-30)33-17-6-4-3-5-7-17/h2-7,12,15-16,18H,1,8-11,13-14H2,(H2,25,26,27,28)
XHGHIJJNDVYRQW-UHFFFAOYSA-N
446.51