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
CC1(C)CCCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)C1
InChI=1S/C26H32N8/c1-26(2)8-3-4-18(14-26)34-22-17-28-9-7-20(22)21-16-30-25(32-24(21)34)31-23-6-5-19(15-29-23)33-12-10-27-11-13-33/h5-7,9,15-18,27H,3-4,8,10-14H2,1-2H3,(H,29,30,31,32)
DUHXDQPGUINDGD-UHFFFAOYSA-N
456.6