6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7H-purine Openeye Name: 6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-7H-purine CAS Name: 6-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-7H-purine IUPAC Name: 6-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7H-purine Traditional Name: 6-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-7H-purine Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC=NC3=C2NC=N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC=NC3=C2NC=N3)C)C(C)(C)C

InChI

InChI=1S/C18H22N4S/c1-11-6-13(18(3,4)5)7-12(2)14(11)8-23-17-15-16(20-9-19-15)21-10-22-17/h6-7,9-10H,8H2,1-5H3,(H,19,20,21,22)