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
O=C([C@@H]1C[C@H](N2CCC(c3nnnn3-c3ccccc3)CC2)CN1)N1CCSC1
InChI=1S/C20H27N7OS/c28-20(26-10-11-29-14-26)18-12-17(13-21-18)25-8-6-15(7-9-25)19-22-23-24-27(19)16-4-2-1-3-5-16/h1-5,15,17-18,21H,6-14H2/t17-,18-/m0/s1
VRTJIZXTIAZUOX-ROUUACIJSA-N
413.55