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
CCCc1nc(CC)c(C(=O)OCc2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C43H39N7O3/c1-3-13-39-44-38(4-2)40(49(39)28-30-20-24-32(25-21-30)36-18-11-12-19-37(36)41-45-47-48-46-41)43(52)53-29-31-22-26-33(27-23-31)42(51)50(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-12,14-27H,3-4,13,28-29H2,1-2H3,(H,45,46,47,48)
FKCMDMVCVNAORO-UHFFFAOYSA-N
701.83