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)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChI=1S/C24H35N3O3/c1-19(2)30-21-8-4-3-7-20(21)26-14-11-25(12-15-26)13-16-27-22(28)17-24(18-23(27)29)9-5-6-10-24/h3-4,7-8,19H,5-6,9-18H2,1-2H3
WOTQTCOGYGHNIU-UHFFFAOYSA-N
413.56