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)N1CCC(Nc2cnc3[nH]cc(C(=O)N[C@H]4CCC[C@H](CC#N)C4)c3n2)CC1
InChI=1S/C23H29N7O2/c1-2-20(31)30-10-7-16(8-11-30)27-19-14-26-22-21(29-19)18(13-25-22)23(32)28-17-5-3-4-15(12-17)6-9-24/h2,13-17H,1,3-8,10-12H2,(H,25,26)(H,27,29)(H,28,32)/t15-,17+/m1/s1
UOTUVBCONQCDIK-WBVHZDCISA-N
435.53