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
CCC1CN(c2ccc(C3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C
InChI=1S/C28H33N3O/c1-3-23-20-30(18-17-29(23)2)24-11-9-21(10-12-24)28-27-14-13-26(32)19-22(27)15-16-31(28)25-7-5-4-6-8-25/h4-14,19,23,28,32H,3,15-18,20H2,1-2H3
VPWBEIUMAJCDIT-UHFFFAOYSA-N
427.59