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
CN(CCN1CCCCC1)c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1
InChI=1S/C29H30N2O3S/c1-30(17-18-31-15-3-2-4-16-31)22-9-5-20(6-10-22)28(34)27-25-14-13-24(33)19-26(25)35-29(27)21-7-11-23(32)12-8-21/h5-14,19,32-33H,2-4,15-18H2,1H3
QYZCWRURCWEHCE-UHFFFAOYSA-N
486.64