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
Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc2n(C[C@H]2CCCO2)c1=O
InChI=1S/C31H36N6O2/c1-21-7-4-5-9-26(21)27-18-23-19-32-31(34-29(23)37(30(27)38)20-25-8-6-16-39-25)33-24-10-11-28(22(2)17-24)36-14-12-35(3)13-15-36/h4-5,7,9-11,17-19,25H,6,8,12-16,20H2,1-3H3,(H,32,33,34)/t25-/m1/s1
DSGSKJGKZNQTJM-RUZDIDTESA-N
524.67