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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H25N7O3S/c1-11-5-6-20-17(21-11)30-8-7-26-14-15(24(4)19(28)23-16(14)27)22-18(26)25-9-12(2)29-13(3)10-25/h5-6,12-13H,7-10H2,1-4H3,(H,23,27,28)