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
CC1(C)C(=O)NN=C1c1ccc(/N=C2\CCCC(O)=C2Cc2cccc(C#N)c2)c(F)c1F
InChI=1S/C25H22F2N4O2/c1-25(2)23(30-31-24(25)33)16-9-10-19(22(27)21(16)26)29-18-7-4-8-20(32)17(18)12-14-5-3-6-15(11-14)13-28/h3,5-6,9-11,32H,4,7-8,12H2,1-2H3,(H,31,33)/b29-18+
YFZTZZQZLDXKQF-RDRPBHBLSA-N
448.47