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

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3-methyl-8-(4-methyl-1-piperidyl)-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-7-[3-[(4-methyl-2-pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperidino)-7-[3-[(4-methylpyrimidin-2-yl)thio]propyl]xanthine Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H27N7O2S/c1-13-6-10-26(11-7-13)19-23-16-15(17(28)24-20(29)25(16)3)27(19)9-4-12-30-18-21-8-5-14(2)22-18/h5,8,13H,4,6-7,9-12H2,1-3H3,(H,24,28,29)