6-[2-(5-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(5-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]-7H-purine Openeye Name: 6-[2-(2-isopropyl-5-methyl-phenoxy)ethylsulfanyl]-7H-purine CAS Name: 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethylthio]-7H-purine IUPAC Name: 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]-7H-purine Traditional Name: 6-[2-(2-isopropyl-5-methyl-phenoxy)ethylthio]-7H-purine Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-11(2)13-5-4-12(3)8-14(13)22-6-7-23-17-15-16(19-9-18-15)20-10-21-17/h4-5,8-11H,6-7H2,1-3H3,(H,18,19,20,21)