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
c1ccc(CNCc2ccc(CN(C[C@H]3Cc4ccccc4CN3)[C@H]3CCCc4cccnc43)cc2)nc1
InChI=1S/C33H37N5/c1-2-8-29-21-37-31(19-28(29)7-1)24-38(32-12-5-9-27-10-6-18-36-33(27)32)23-26-15-13-25(14-16-26)20-34-22-30-11-3-4-17-35-30/h1-4,6-8,10-11,13-18,31-32,34,37H,5,9,12,19-24H2/t31-,32+/m1/s1
SIMHCJVBDXBOGC-ZWXJPIIXSA-N
503.69