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](Oc1cc2c3c(c1)nc(-c1ccc4nc(N)nnc4c1)n3CCCCO2)C(N)=O
InChI=1S/C21H21N7O3/c1-11(19(22)29)31-13-9-16-18-17(10-13)30-7-3-2-6-28(18)20(24-16)12-4-5-14-15(8-12)26-27-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,29)(H2,23,25,27)/t11-/m0/s1
IWTPWLVQNOYAOH-NSHDSACASA-N
419.45