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(C)c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12
InChI=1S/C24H31N5O4/c1-13(2)9-18(23(31)27-16(12-25)10-15-7-8-26-22(15)30)29-24(32)19-11-17-20(33-4)6-5-14(3)21(17)28-19/h5-6,11,13,15-16,18,28H,7-10H2,1-4H3,(H,26,30)(H,27,31)(H,29,32)/t15-,16-,18-/m0/s1
HQHODRFXEHOYNQ-BQFCYCMXSA-N
453.54