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
CC(=O)N1CCC(c2cc3c(N[C@H](C)c4cc(N)cc(C(F)(F)F)c4)nc(C)nc3n(C)c2=O)CC1
InChI=1S/C25H29F3N6O2/c1-13(17-9-18(25(26,27)28)11-19(29)10-17)30-22-21-12-20(16-5-7-34(8-6-16)15(3)35)24(36)33(4)23(21)32-14(2)31-22/h9-13,16H,5-8,29H2,1-4H3,(H,30,31,32)/t13-/m1/s1
CANNEHAOSZSHJR-CYBMUJFWSA-N
502.54