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
COc1cc2c(cc1Nc1nc(Nc3cccnc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2
InChI=1S/C25H27N9O3/c1-33(2)13-20(35)34-10-7-14-11-19(37-3)17(12-18(14)34)30-25-31-23-15(6-9-28-23)24(32-25)29-16-5-4-8-27-21(16)22(26)36/h4-6,8-9,11-12H,7,10,13H2,1-3H3,(H2,26,36)(H3,28,29,30,31,32)
SWTGAKJUQKMCRZ-UHFFFAOYSA-N
501.55