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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanyl-propyl]purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-methyl-3-[(4-methyl-2-pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-methyl-3-[(4-methylpyrimidin-2-yl)thio]propyl]xanthine Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H29N7O3S/c1-12(11-32-19-22-7-6-13(2)23-19)8-28-16-17(26(5)21(30)25-18(16)29)24-20(28)27-9-14(3)31-15(4)10-27/h6-7,12,14-15H,8-11H2,1-5H3,(H,25,29,30)