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

Systemtic Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-methylpropyl]-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-methyl-propyl]-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C22H32N8O2S MolecularWeight: 472.60688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N8O2S/c1-6-28-7-9-29(10-8-28)21-25-18-17(19(31)26-22(32)27(18)5)30(21)12-14(2)13-33-20-23-15(3)11-16(4)24-20/h11,14H,6-10,12-13H2,1-5H3,(H,26,31,32)