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
CCOC(=O)/C=C1\CC(CC)(CC)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C27H31N5O3/c1-4-27(5-2)16-21(15-25(34)35-6-3)32(24(33)17-27)18-19-11-13-20(14-12-19)22-9-7-8-10-23(22)26-28-30-31-29-26/h7-15H,4-6,16-18H2,1-3H3,(H,28,29,30,31)/b21-15+
SMAVFAOGHDJNBS-RCCKNPSSSA-N
473.58