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
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCN(CCc5ccccc5)CC4)c3)cc21
InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
RIJIYYKFIMDTMK-UHFFFAOYSA-N
532.56