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
CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CN)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1
InChI=1S/C31H31N5O4S/c1-17(2)14-35-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)13-32)11-25(23)30(38)36-22-7-3-18(4-8-22)28(33)34/h3-12,15-17H,13-14,32H2,1-2H3,(H3,33,34)(H,35,37)(H,36,38)(H,39,40)
NRTPJMXYAMIJHJ-UHFFFAOYSA-N
569.69