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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
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CC(C)N1Cc2ccccc2C(C2CCCC2)(C2CCN(CC3CN(c4ccc(S(=O)(=O)c5ccncc5)cc4)C3)CC2)C1
InChI=1S/C37H48N4O2S/c1-28(2)41-26-30-7-3-6-10-36(30)37(27-41,31-8-4-5-9-31)32-17-21-39(22-18-32)23-29-24-40(25-29)33-11-13-34(14-12-33)44(42,43)35-15-19-38-20-16-35/h3,6-7,10-16,19-20,28-29,31-32H,4-5,8-9,17-18,21-27H2,1-2H3
JHWOZNHPOMQEEW-UHFFFAOYSA-N
612.88
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