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)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
InChI=1S/C33H37Cl2N5O4/c1-4-23(2)40-32(41)39(22-36-40)27-8-6-25(7-9-27)37-15-17-38(18-16-37)26-10-12-28(13-11-26)42-20-29-21-43-33(3,44-29)30-14-5-24(34)19-31(30)35/h5-14,19,22-23,29H,4,15-18,20-21H2,1-3H3/t23-,29-,33+/m1/s1
DSUBUDBDRUEAAT-UXPBPJRISA-N
638.6