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
CCCCCCCCCC(=O)c1ccc(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)cc1
InChI=1S/C27H40N5O13P3/c1-2-3-4-5-6-7-8-9-21(33)20-12-10-19(11-13-20)15-41-46(35,36)44-48(39,40)45-47(37,38)42-16-23-22(34)14-24(43-23)32-18-31-25-26(28)29-17-30-27(25)32/h10-13,17-18,22-24,34H,2-9,14-16H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,28,29,30)/t22-,23+,24+/m0/s1
FWPFSWCMIHQFHN-RBZQAINGSA-N
735.56