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
CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC1(CC)CC
InChI=1S/C26H29N5O3/c1-4-26(5-2)16-23(32)31(22(26)15-24(33)34-6-3)17-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-27-29-30-28-25/h7-15H,4-6,16-17H2,1-3H3,(H,27,28,29,30)/b22-15-
JNYGGWPRWHVUGL-JCMHNJIXSA-N
459.55