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(=N\Nc1ccccc1)/c1ccc(N2CCN(c3ccc(/C=N/Nc4ccccc4)cc3)CC2)cc1
InChI=1S/C30H30N6/c1-3-7-27(8-4-1)33-31-23-25-11-15-29(16-12-25)35-19-21-36(22-20-35)30-17-13-26(14-18-30)24-32-34-28-9-5-2-6-10-28/h1-18,23-24,33-34H,19-22H2/b31-23+,32-24+
STHOLVQORPIXKI-QBRCKEFASA-N
474.61