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
CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CNCCC3)c2)CC1
InChI=1S/C23H26N6O2/c1-15(30)29-9-6-16(7-10-29)17-4-5-21(20(11-17)18-3-2-8-25-13-18)28-23(31)22-26-14-19(12-24)27-22/h4-5,11,13-14,16,25H,2-3,6-10H2,1H3,(H,26,27)(H,28,31)
MWGWVSREKKGECN-UHFFFAOYSA-N
418.5