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([O-])C1CN(Cc2ccc(-n3cc(-c4ccc(Br)cc4)nn3)cc2)C1.[Na+]
InChI=1S/C19H17BrN4O2.Na/c20-16-5-3-14(4-6-16)18-12-24(22-21-18)17-7-1-13(2-8-17)9-23-10-15(11-23)19(25)26;/h1-8,12,15H,9-11H2,(H,25,26);/q;+1/p-1
VLUBNPLXYCEYNF-UHFFFAOYSA-M
435.26