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
O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1
InChI=1S/C28H29FN6O/c29-23-2-4-24(5-3-23)35-18-26(25-15-21(1-6-27(25)35)22-16-30-19-31-17-22)20-7-10-33(11-8-20)13-14-34-12-9-32-28(34)36/h1-6,15-20H,7-14H2,(H,32,36)
IVQOPWPGYZWSKH-UHFFFAOYSA-N
484.58