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
O=C(Nc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1
InChI=1S/C30H28N6O/c37-30(26-11-3-4-17-31-26)33-23-15-13-21(14-16-23)19-36(20-28-34-24-9-1-2-10-25(24)35-28)27-12-5-7-22-8-6-18-32-29(22)27/h1-4,6,8-11,13-18,27H,5,7,12,19-20H2,(H,33,37)(H,34,35)
NITSTTAMDWAHOS-UHFFFAOYSA-N
488.6