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)NCC1CCCN(c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)C1
InChI=1S/C27H28N4O4/c1-2-25(32)29-17-19-7-6-16-31(18-19)24-15-14-23(26(28)33)27(30-24)35-22-12-10-21(11-13-22)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-18H2,(H2,28,33)(H,29,32)
OQTKPKMOPDOJNM-UHFFFAOYSA-N
472.55