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
O=C(OCc1ccccc1)N1CCN(c2nc(N(CCO)CCO)nc3c(N4CCNCC4)nc(N(CCO)CCO)nc23)CC1
InChI=1S/C30H44N10O6/c41-18-14-38(15-19-42)28-33-25-24(26(34-28)36-8-6-31-7-9-36)32-29(39(16-20-43)17-21-44)35-27(25)37-10-12-40(13-11-37)30(45)46-22-23-4-2-1-3-5-23/h1-5,31,41-44H,6-22H2
DGJUIQONQJDIIP-UHFFFAOYSA-N
640.75