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](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C(N)=O
InChI=1S/C18H18F3N5O4/c1-9(15(22)27)23-10-2-3-11-12(6-10)29-5-4-25-7-14(24-16(11)25)26-13(18(19,20)21)8-30-17(26)28/h2-3,6-7,9,13,23H,4-5,8H2,1H3,(H2,22,27)/t9-,13-/m0/s1
DJWMHIYOUGNZIO-ZANVPECISA-N
425.37