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

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Nc1ncnc2c1c(-c1cccc(Cl)c1)cn2[C@H]1CC[C@@H](N)CC1

InChI

InChI=1S/C18H20ClN5/c19-12-3-1-2-11(8-12)15-9-24(14-6-4-13(20)5-7-14)18-16(15)17(21)22-10-23-18/h1-3,8-10,13-14H,4-7,20H2,(H2,21,22,23)/t13-,14+

InChIKey HDMQWCYTRZDFQN-OKILXGFUSA-N

Molecular Weight

341.85