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
CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1Nc1ccc(O)cc1
InChI=1S/C27H22N4O3/c1-2-34-27(33)22-17-28-26-23(25(22)29-19-13-15-21(32)16-14-19)24(18-9-5-3-6-10-18)30-31(26)20-11-7-4-8-12-20/h3-17,32H,2H2,1H3,(H,28,29)
KLGTWDUDMFFZBM-UHFFFAOYSA-N
450.5