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
Cn1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1C(=N)N
InChI=1S/C23H34N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8,11,14-15,17-18,26H,2-4,6-7,9-10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,18+/m1/s1
QCZYJMVOQJCMHZ-MSOLQXFVSA-N
458.56