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
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C2=C3C=CC=CC3N(C)C(=O)C2C(=O)O)cc1
InChI=1S/C28H28N4O3/c1-5-22-30-25-16(2)14-17(3)29-26(25)32(22)15-18-10-12-19(13-11-18)23-20-8-6-7-9-21(20)31(4)27(33)24(23)28(34)35/h6-14,21,24H,5,15H2,1-4H3,(H,34,35)
XZAPETFYSPSINT-UHFFFAOYSA-N
468.56