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
Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn4c3N(CCCC4)C(=O)C2)cc1
InChI=1S/C29H31N7O/c1-19-31-24-18-30-14-13-25(24)36(19)22-11-9-20(10-12-22)23-17-26(37)34-15-5-6-16-35-29(34)28(32-23)27(33-35)21-7-3-2-4-8-21/h9-14,18,21H,2-8,15-17H2,1H3
PZANFRUOHLYJQN-UHFFFAOYSA-N
493.62