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(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2c1NCCC2
InChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
RPBVWEILTAVEHF-UHFFFAOYSA-N
449.62