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

Systemtic Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-methylpropyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-methyl-propyl]-3-methyl-8-morpholino-xanthine Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(C)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(C)CN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C20H27N7O3S/c1-12(11-31-18-21-13(2)9-14(3)22-18)10-27-15-16(25(4)20(29)24-17(15)28)23-19(27)26-5-7-30-8-6-26/h9,12H,5-8,10-11H2,1-4H3,(H,24,28,29)