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
CCOC1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)C(c2ccc(-c3nn[nH]n3)cc2)C1
InChI=1S/C25H30N6O2/c1-4-33-19-10-12-31(15-21-20-9-11-26-24(20)16(2)13-23(21)32-3)22(14-19)17-5-7-18(8-6-17)25-27-29-30-28-25/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,27,28,29,30)
ZVINDOKATQVWPW-UHFFFAOYSA-N
446.56