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
COc1ccc(CN2C(=O)CN[C@](c3cccc(-c4ccccc4)c3)([C@H](Oc3nc(C)cc(C)n3)C(=O)O)c3ccccc32)cc1
InChI=1S/C37H34N4O5/c1-24-20-25(2)40-36(39-24)46-34(35(43)44)37(29-13-9-12-28(21-29)27-10-5-4-6-11-27)31-14-7-8-15-32(31)41(33(42)22-38-37)23-26-16-18-30(45-3)19-17-26/h4-21,34,38H,22-23H2,1-3H3,(H,43,44)/t34-,37+/m1/s1
DEYKKRWFIMYKJM-BLPFIKBVSA-N
614.7