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
CCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C27H28N8O2/c1-4-7-23-28-22-14-15-34(17-24(36)33(2)3)27(37)25(22)35(23)16-18-10-12-19(13-11-18)20-8-5-6-9-21(20)26-29-31-32-30-26/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,29,30,31,32)
XSVYVIWXYIVSOW-UHFFFAOYSA-N
496.58