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
CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1
InChI=1S/C25H23N5O5/c1-2-21(31)29-11-9-28(10-12-29)15-7-8-20(30(34)35)17(13-15)22-23(25(33)27-24(22)32)18-14-26-19-6-4-3-5-16(18)19/h3-8,13-14,26H,2,9-12H2,1H3,(H,27,32,33)
TWZQPSUHKYXAOB-UHFFFAOYSA-N
473.49