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
Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChI=1S/C35H45N7O4/c1-24-19-25(20-27-22-36-38-32(24)27)21-31(33(43)40-15-9-28(10-16-40)39-13-5-2-6-14-39)46-35(45)41-17-11-29(12-18-41)42-23-26-7-3-4-8-30(26)37-34(42)44/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,38)(H,37,44)/t31-/m1/s1
DHQUHQOPJWMPBJ-WJOKGBTCSA-N
627.79