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
Cc1ccc2nc([C@H](CC3CCN(C(=O)C(C)C)CC3)N3C(=O)CN(c4ccc(Oc5ccc(F)cc5)cc4)C3=O)n(C3CC3)c2c1
InChI=1S/C37H40FN5O4/c1-23(2)36(45)40-18-16-25(17-19-40)21-33(35-39-31-15-4-24(3)20-32(31)42(35)28-7-8-28)43-34(44)22-41(37(43)46)27-9-13-30(14-10-27)47-29-11-5-26(38)6-12-29/h4-6,9-15,20,23,25,28,33H,7-8,16-19,21-22H2,1-3H3/t33-/m0/s1
NDOXPBRLGNIIBT-XIFFEERXSA-N
637.76