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
CCOCN1C2=C(C(=O)Nc3ccc(OC)cc3F)C(=O)CCN2c2ccc(F)cc21
InChI=1S/C22H21F2N3O4/c1-3-31-12-27-18-10-13(23)4-7-17(18)26-9-8-19(28)20(22(26)27)21(29)25-16-6-5-14(30-2)11-15(16)24/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,25,29)
NVVQPZZZGHXPIJ-UHFFFAOYSA-N
429.42