8-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(2-isopropyl-4-methyl-phenoxy)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-(4-methyl-2-propan-2-ylphenoxy)ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(2-isopropyl-4-methyl-phenoxy)ethylthio]-7H-purin-6-yl]amine Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N)C(C)C

InChI

InChI=1S/C17H21N5OS/c1-10(2)12-8-11(3)4-5-13(12)23-6-7-24-17-21-14-15(18)19-9-20-16(14)22-17/h4-5,8-10H,6-7H2,1-3H3,(H3,18,19,20,21,22)