9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 9-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 9-(4-tert-butylbenzyl)-1,3-dimethyl-8-(2-pyrimidylthio)xanthine Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2SC4=NC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2SC4=NC=CC=N4

InChI

InChI=1S/C22H24N6O2S/c1-22(2,3)15-9-7-14(8-10-15)13-28-17-16(18(29)27(5)21(30)26(17)4)25-20(28)31-19-23-11-6-12-24-19/h6-12H,13H2,1-5H3