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
Cc1nc(C(=O)N2CC[C@H](C)[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c(-c2ccc(F)cc2)s1
InChI=1S/C24H22ClFN4OS/c1-12-10-11-30(21(12)23-28-18-9-8-17(25)13(2)19(18)29-23)24(31)20-22(32-14(3)27-20)15-4-6-16(26)7-5-15/h4-9,12,21H,10-11H2,1-3H3,(H,28,29)/t12-,21-/m0/s1
JJALNSGVCOGWGJ-QKVFXAPYSA-N
468.99