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(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3ccccc3[nH]c12
InChI=1S/C22H29N5O2/c1-26(2)13-11-23-18-10-9-16(22(29)24-12-14-27(3)4)20-19(18)21(28)15-7-5-6-8-17(15)25-20/h5-10,23H,11-14H2,1-4H3,(H,24,29)(H,25,28)
JQDFTSQWANVBNH-UHFFFAOYSA-N
395.51