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
C=CC(=O)N(C)Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)c12
InChI=1S/C29H31N5O2/c1-7-24(35)34(6)16-20-15-30-27-25(20)26(31-17-32-27)22-9-8-10-23(18(22)2)33-28(36)19-11-13-21(14-12-19)29(3,4)5/h7-15,17H,1,16H2,2-6H3,(H,33,36)(H,30,31,32)
JMPKWKAQXXADIE-UHFFFAOYSA-N
481.6