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
CCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCC(C(N)=O)CC3)cc21
InChI=1S/C28H33FN4O4/c1-3-4-11-33-17-22(28(36)31-16-18-5-7-20(37-2)8-6-18)26(34)21-14-23(29)25(15-24(21)33)32-12-9-19(10-13-32)27(30)35/h5-8,14-15,17,19H,3-4,9-13,16H2,1-2H3,(H2,30,35)(H,31,36)
YYNVSZOGJUUTLY-UHFFFAOYSA-N
508.59