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
CCCCc1sc(C2CCN(CCCCc3cn(C)c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChI=1S/C38H41ClN4OS/c1-3-4-8-36-37(28-10-14-32(15-11-28)44-33-16-12-31(39)13-17-33)41-38(45-36)29-19-22-43(23-20-29)21-6-5-7-30-26-42(2)35-18-9-27(25-40)24-34(30)35/h9-18,24,26,29H,3-8,19-23H2,1-2H3
SYSZRZAQHLUSDF-UHFFFAOYSA-N
637.29