7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C20H28N8O2S MolecularWeight: 444.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H28N8O2S/c1-5-26-6-8-27(9-7-26)19-23-16-15(17(29)24-20(30)25(16)4)28(19)10-11-31-18-21-13(2)12-14(3)22-18/h12H,5-11H2,1-4H3,(H,24,29,30)