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
COCCNC(=O)c1ccc([C@@H]2C[C@@H](OC)CCN2Cc2c(OC)cc(C)c3[nH]ccc23)cc1
InChI=1S/C27H35N3O4/c1-18-15-25(34-4)23(22-9-11-28-26(18)22)17-30-13-10-21(33-3)16-24(30)19-5-7-20(8-6-19)27(31)29-12-14-32-2/h5-9,11,15,21,24,28H,10,12-14,16-17H2,1-4H3,(H,29,31)/t21-,24-/m0/s1
CBUPTKYXJKCUCI-URXFXBBRSA-N
465.59