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
N=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC(C(=O)O)CC1
InChI=1S/C26H23Cl2N5O4/c27-18-5-7-21(20(13-18)25(35)32-22-8-6-19(28)14-30-22)31-24(34)16-3-1-15(2-4-16)23(29)33-11-9-17(10-12-33)26(36)37/h1-8,13-14,17,29H,9-12H2,(H,31,34)(H,36,37)(H,30,32,35)
XVKPNRRLYPSIOE-UHFFFAOYSA-N
540.41