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#Cc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1
InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27)
IJALVDBOEUTVBN-UHFFFAOYSA-N
358.4