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
COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2)cc1OC
InChI=1S/C23H29N3O4/c1-16-13-25-23(26-16)18-5-7-20(8-6-18)30-15-19(27)14-24-11-10-17-4-9-21(28-2)22(12-17)29-3/h4-9,12-13,19,24,27H,10-11,14-15H2,1-3H3,(H,25,26)
IUFUTNJTGYHQHZ-UHFFFAOYSA-N
411.5