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
CC[C@@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3C)c[nH]c12)N1CCN(C)CC1
InChI=1S/C29H34FN7O3S/c1-5-23(37-14-12-36(3)13-15-37)28(38)33-22-10-6-8-19-20(17-31-27(19)22)26-18(2)16-32-29(35-26)34-21-9-7-11-24(25(21)30)41(4,39)40/h6-11,16-17,23,31H,5,12-15H2,1-4H3,(H,33,38)(H,32,34,35)/t23-/m0/s1
IVRBIACRKQZTJW-QHCPKHFHSA-N
579.7