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[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(Nc3cccnc3)cc2NC1=O
InChI=1S/C34H30ClF2N5O2/c1-20-4-2-6-30(42-15-12-22(17-31(42)43)32-27(36)10-9-26(35)33(32)37)29-16-21(11-14-39-29)25-8-7-23(18-28(25)41-34(20)44)40-24-5-3-13-38-19-24/h3,5,7-11,13-14,16-20,30,40H,2,4,6,12,15H2,1H3,(H,41,44)/t20-,30+/m1/s1
OCWLBXWNNDGCER-KEEVHDRGSA-N
614.1