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
C/C=C/C(=O)Nc1cccc(CNc2cc(Nc3cnn(C)c3)ncn2)c1
InChI=1S/C19H21N7O/c1-3-5-19(27)25-15-7-4-6-14(8-15)10-20-17-9-18(22-13-21-17)24-16-11-23-26(2)12-16/h3-9,11-13H,10H2,1-2H3,(H,25,27)(H2,20,21,22,24)/b5-3+
GXAMADMEMDRBID-HWKANZROSA-N
363.43