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
CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChI=1S/C23H35N5OS/c1-3-26(2)23(29)24-19-10-8-18(9-11-19)12-13-27-14-16-28(17-15-27)22-20-6-4-5-7-21(20)30-25-22/h4-7,18-19H,3,8-17H2,1-2H3,(H,24,29)/t18-,19-
RCTPWYPPQMZWPM-WGSAOQKQSA-N
429.63