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
c1cc(N2CCCN(c3ccc(C4=NCCN4)cc3)CC2)ccc1C1=NCCN1
InChI=1S/C23H28N6/c1-14-28(20-6-2-18(3-7-20)22-24-10-11-25-22)16-17-29(15-1)21-8-4-19(5-9-21)23-26-12-13-27-23/h2-9H,1,10-17H2,(H,24,25)(H,26,27)
LGBPUWVGKYAELY-UHFFFAOYSA-N
388.52