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
O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1
InChI=1S/C25H26N4O4/c30-23(27-21(25(32)33)15-18-6-2-1-3-7-18)22-10-5-12-29(22)24(31)20-9-4-8-19(14-20)16-28-13-11-26-17-28/h1-4,6-9,11,13-14,17,21-22H,5,10,12,15-16H2,(H,27,30)(H,32,33)/t21-,22-/m0/s1
IFUZFWPUVIVQDR-VXKWHMMOSA-N
446.51