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
CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1
InChI=1S/C27H28Cl2N6O3/c1-4-34-11-13-35(14-12-34)17-7-5-16(6-8-17)27(36)31-26-18-9-10-19(30-25(18)32-33-26)22-23(28)20(37-2)15-21(38-3)24(22)29/h5-10,15H,4,11-14H2,1-3H3,(H2,30,31,32,33,36)
YMOVCVRDNUJTLA-UHFFFAOYSA-N
555.47