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
C=C1CC(c2nc3cc(OC)ccc3[nH]2)N(C(=O)c2cc(C)sc2-c2ccc(C)c(C)c2)C1
InChI=1S/C27H27N3O2S/c1-15-10-24(26-28-22-9-8-20(32-5)13-23(22)29-26)30(14-15)27(31)21-12-18(4)33-25(21)19-7-6-16(2)17(3)11-19/h6-9,11-13,24H,1,10,14H2,2-5H3,(H,28,29)
VLOHAXSJLPIXTQ-UHFFFAOYSA-N
457.6