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
CCOC(=O)/C=C1\CC(C)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C24H25N5O3/c1-3-32-23(31)14-19-12-16(2)13-22(30)29(19)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)24-25-27-28-26-24/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,25,26,27,28)/b19-14+
LTYGGIVFRIUKSF-XMHGGMMESA-N
431.5