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
Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(Cc6ccc(O)cc6)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1
InChI=1S/C36H34N6O3/c37-27-12-15-30-32(21-27)42(36(45)39-30)28-16-18-41(19-17-28)22-24-6-10-26(11-7-24)33-34(25-4-2-1-3-5-25)40-35(44)31(38-33)20-23-8-13-29(43)14-9-23/h1-15,21,28,43H,16-20,22,37H2,(H,39,45)(H,40,44)
ZBSGZUAZBAPAGU-UHFFFAOYSA-N
598.71