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
CNc1cc(Nc2cc(F)cnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChI=1S/C19H21F2N7O2/c1-9(2)30-19-14(4-10(20)7-23-19)25-15-6-16(22-3)28-17(27-15)11(8-24-28)18(29)26-13-5-12(13)21/h4,6-9,12-13,22H,5H2,1-3H3,(H,25,27)(H,26,29)/t12-,13+/m1/s1
JAMBMYKGOUVFEU-OLZOCXBDSA-N
417.42