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
COc1nc(OC)nc(N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)n1
InChI=1S/C19H24N8O4/c1-28-13-9-11-12(10-14(13)29-2)21-16(22-15(11)20)26-5-7-27(8-6-26)17-23-18(30-3)25-19(24-17)31-4/h9-10H,5-8H2,1-4H3,(H2,20,21,22)
OBUPUGSJPRLUPW-UHFFFAOYSA-N
428.45