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
Cc1c2c(nn1-c1ccc(-c3nc4cncnc4[nH]3)cc1)-c1ccccc1S(=O)(=O)N2C
InChI=1S/C22H17N7O2S/c1-13-20-19(16-5-3-4-6-18(16)32(30,31)28(20)2)27-29(13)15-9-7-14(8-10-15)21-25-17-11-23-12-24-22(17)26-21/h3-12H,1-2H3,(H,23,24,25,26)
SGZBANNHUZQAER-UHFFFAOYSA-N
443.49