6-[2-(2,4-dimethylphenoxy)butylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(2,4-dimethylphenoxy)butylsulfanyl]-7H-purine Openeye Name: 6-[2-(2,4-dimethylphenoxy)butylsulfanyl]-7H-purine CAS Name: 6-[2-(2,4-dimethylphenoxy)butylthio]-7H-purine IUPAC Name: 6-[2-(2,4-dimethylphenoxy)butylsulfanyl]-7H-purine Traditional Name: 6-[2-(2,4-dimethylphenoxy)butylthio]-7H-purine Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC=NC2=C1NC=N2)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(CSC1=NC=NC2=C1NC=N2)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C17H20N4OS/c1-4-13(22-14-6-5-11(2)7-12(14)3)8-23-17-15-16(19-9-18-15)20-10-21-17/h5-7,9-10,13H,4,8H2,1-3H3,(H,18,19,20,21)