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
CC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3cccc(Cl)c32)CC(C)N1C
InChI=1S/C24H25ClFN5O/c1-15-11-29(12-16(2)28(15)3)24(32)30-13-21-22(17-7-9-18(26)10-8-17)27-14-31(21)20-6-4-5-19(25)23(20)30/h4-10,14-16H,11-13H2,1-3H3
QZMPDJDTESUUCE-UHFFFAOYSA-N
453.95