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)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChI=1S/C24H35N5O/c1-19(2)20-9-5-6-11-22(20)29-17-15-28(16-18-29)14-8-13-26-23-21(10-7-12-25-23)24(30)27(3)4/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,25,26)
YTHHMIXZTYAFQZ-UHFFFAOYSA-N
409.58