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
Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3cccc(NS(=O)(=O)C(C)C)c3)CC2)cc1
InChI=1S/C24H36N4O4S2/c1-20(2)33(29,30)26-22-7-6-8-23(19-22)28-17-15-27(16-18-28)14-5-4-13-25-34(31,32)24-11-9-21(3)10-12-24/h6-12,19-20,25-26H,4-5,13-18H2,1-3H3
ZMFVNZUAHQQACM-UHFFFAOYSA-N
508.71