3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-[3-(p-tolylsulfanyl)propyl]purine-2,6-dione CAS Name: 3-methyl-7-[3-[(4-methylphenyl)thio]propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[3-(4-methylphenyl)sulfanylpropyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-[3-(p-tolylthio)propyl]xanthine Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H25N5O3S/c1-14-4-6-15(7-5-14)29-13-3-8-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-9-11-28-12-10-24/h4-7H,3,8-13H2,1-2H3,(H,22,26,27)