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

Systemtic Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C21H30N8O2S MolecularWeight: 458.5803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H30N8O2S/c1-5-27-8-10-28(11-9-27)20-24-17-16(18(30)25-21(31)26(17)4)29(20)7-6-12-32-19-22-14(2)13-15(3)23-19/h13H,5-12H2,1-4H3,(H,25,30,31)