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
Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCC(C)(C)CC3)c(C#N)c(=O)n2c1
InChI=1S/C26H29N5O3/c1-16-13-19(17(2)28-21-8-6-5-7-18(21)25(33)34)23-29-22(20(14-27)24(32)31(23)15-16)30-11-9-26(3,4)10-12-30/h5-8,13,15,17,28H,9-12H2,1-4H3,(H,33,34)/t17-/m1/s1
ZOJLNHIFYZCUMX-QGZVFWFLSA-N
459.55