6-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-7H-purine Openeye Name: 6-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-7H-purine CAS Name: 6-[2-(3,4-dimethylphenoxy)ethylthio]-7H-purine IUPAC Name: 6-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-7H-purine Traditional Name: 6-[2-(3,4-dimethylphenoxy)ethylthio]-7H-purine Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCSC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCSC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C15H16N4OS/c1-10-3-4-12(7-11(10)2)20-5-6-21-15-13-14(17-8-16-13)18-9-19-15/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,18,19)