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
CCCc1sc(C2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChI=1S/C36H37ClN4OS/c1-2-5-34-35(26-8-12-30(13-9-26)42-31-14-10-29(37)11-15-31)40-36(43-34)27-17-20-41(21-18-27)19-4-3-6-28-24-39-33-16-7-25(23-38)22-32(28)33/h7-16,22,24,27,39H,2-6,17-21H2,1H3
YGVZAFGLYJQHIB-UHFFFAOYSA-N
609.24