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
CCCCn1nc(C(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C25H28N6O2/c1-4-5-14-31-21(22(25(32)33)23(28-31)16(2)3)15-17-10-12-18(13-11-17)19-8-6-7-9-20(19)24-26-29-30-27-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,32,33)(H,26,27,29,30)
KGDCUODBLBTVJQ-UHFFFAOYSA-N
444.54