3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-(phenylthio)propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-(phenylthio)propyl]-8-morpholino-xanthine Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=CC=CC=C4

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3S/c1-14(13-29-15-6-4-3-5-7-15)12-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-8-10-28-11-9-24/h3-7,14H,8-13H2,1-2H3,(H,22,26,27)