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
COC[C@@H](Oc1cc2c3c(c1)nc(-c1ccc4nc(N)sc4c1)n3CCCCO2)C(N)=O
InChI=1S/C22H23N5O4S/c1-29-11-17(20(23)28)31-13-9-15-19-16(10-13)30-7-3-2-6-27(19)21(25-15)12-4-5-14-18(8-12)32-22(24)26-14/h4-5,8-10,17H,2-3,6-7,11H2,1H3,(H2,23,28)(H2,24,26)/t17-/m1/s1
OORRCRAAAYXFFM-QGZVFWFLSA-N
453.52