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
Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc(-c2ccccc2)cs1
InChI=1S/C27H32N4OS/c1-20-23(18-30-14-16-31(17-15-30)26(32)22-10-5-6-11-22)12-7-13-24(20)28-27-29-25(19-33-27)21-8-3-2-4-9-21/h2-4,7-9,12-13,19,22H,5-6,10-11,14-18H2,1H3,(H,28,29)
PRRPEUFUCCWDOP-UHFFFAOYSA-N
460.65