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
C=CC(=O)N1CC[C@H](Nc2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)C1
InChI=1S/C25H24N4O4/c1-2-23(30)29-15-14-17(16-29)27-22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,28)/t17-/m0/s1
MFATYZSMVUHWMA-KRWDZBQOSA-N
444.49