8-(4-ethylpiperazin-1-yl)-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC(=N4)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)12-14(2)13-32-19-22-7-6-15(3)23-19/h6-7,14H,5,8-13H2,1-4H3,(H,25,30,31)