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
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc23)cc1
InChI=1S/C27H24N8/c1-4-23-30-25-16(2)13-17(3)29-27(25)35(23)15-18-9-11-19(12-10-18)24-20-7-5-6-8-22(20)28-14-21(24)26-31-33-34-32-26/h5-14H,4,15H2,1-3H3,(H,31,32,33,34)
PAHUVVNSHGPBOR-UHFFFAOYSA-N
460.55