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
Cc1cccc(C)c1Oc1ccnc(NC2CCN(Cc3n[nH]c4ccccc34)CC2)n1
InChI=1S/C25H28N6O/c1-17-6-5-7-18(2)24(17)32-23-10-13-26-25(28-23)27-19-11-14-31(15-12-19)16-22-20-8-3-4-9-21(20)29-30-22/h3-10,13,19H,11-12,14-16H2,1-2H3,(H,29,30)(H,26,27,28)
FHNTWQGRMPEBQS-UHFFFAOYSA-N
428.54