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
CCn1nc(-c2cccc(-c3cccc(C(=O)NCCCCCCCN(C)CCO)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChI=1S/C35H41Cl2N7O4/c1-3-44-34(47)31(40-35(48)41-32-28(36)22-38-23-29(32)37)21-30(42-44)26-13-9-11-24(19-26)25-12-10-14-27(20-25)33(46)39-15-7-5-4-6-8-16-43(2)17-18-45/h9-14,19-23,45H,3-8,15-18H2,1-2H3,(H,39,46)(H2,38,40,41,48)
OXMNWHWSPHHKPG-UHFFFAOYSA-N
694.66