8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[(4,6-dimethyl-2-pyrimidinyl)thio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[(4,6-dimethylpyrimidin-2-yl)thio]-1,3,9-trimethyl-xanthine Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C14H16N6O2S/c1-7-6-8(2)16-12(15-7)23-13-17-9-10(18(13)3)19(4)14(22)20(5)11(9)21/h6H,1-5H3