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
Cl.O=C(N[C@@H]1CNCC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCCn1ncc(Br)c1-2
InChI=1S/C22H22BrFN4OS.ClH/c23-17-11-26-28-8-2-5-19-16(21(17)28)10-20(30-19)22(29)27-18-12-25-7-6-15(18)13-3-1-4-14(24)9-13;/h1,3-4,9-11,15,18,25H,2,5-8,12H2,(H,27,29);1H/t15-,18+;/m0./s1
CLWSSOYAQSHLRL-QVNYQEOOSA-N
525.88