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=C1NC(Nc2ccc(N3CCNCC3)cc2)=N/C1=C\c1ccc2c(c1)OCO2
InChI=1S/C21H21N5O3/c27-20-17(11-14-1-6-18-19(12-14)29-13-28-18)24-21(25-20)23-15-2-4-16(5-3-15)26-9-7-22-8-10-26/h1-6,11-12,22H,7-10,13H2,(H2,23,24,25,27)/b17-11-
JBFOGRDEYAYPMV-BOPFTXTBSA-N
391.43