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)Nc1ccc(-c2c(-c3ccc(C4COC4)cc3)c3c(N)ncnc3n2C)cc1
InChI=1S/C25H23N5O2/c1-3-20(31)29-19-10-8-17(9-11-19)23-21(22-24(26)27-14-28-25(22)30(23)2)16-6-4-15(5-7-16)18-12-32-13-18/h3-11,14,18H,1,12-13H2,2H3,(H,29,31)(H2,26,27,28)
JTHJYKXAILTDCX-UHFFFAOYSA-N
425.49