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
C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CN1c1nnco1
InChI=1S/C24H22N8O4/c1-4-20(33)31-11-17(12-32(31)24-29-28-14-36-24)30-10-16(21-22(25)26-13-27-23(21)30)6-5-15-7-18(34-2)9-19(8-15)35-3/h4,7-10,13-14,17H,1,11-12H2,2-3H3,(H2,25,26,27)/t17-/m1/s1
LCVNICSLMILSMJ-QGZVFWFLSA-N
486.49