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
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O
InChI=1S/C25H30N6O2/c1-25(2)9-7-16(8-10-25)20-11-17(18-14-30(3)24(33)31(4)15-18)5-6-21(20)29-23(32)22-27-13-19(12-26)28-22/h5-7,11,13,18H,8-10,14-15H2,1-4H3,(H,27,28)(H,29,32)
PLLXRIKKPQALQF-UHFFFAOYSA-N
446.56