8-[(4-tert-butylphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-tert-butylphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-tert-butylphenyl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-tert-butylphenyl)methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-tert-butylphenyl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-tert-butylbenzyl)thio]-1,3,7-trimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H24N4O2S/c1-19(2,3)13-9-7-12(8-10-13)11-26-17-20-15-14(21(17)4)16(24)23(6)18(25)22(15)5/h7-10H,11H2,1-6H3