1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(4-methylphenyl)thio]ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-[2-(p-tolylthio)ethyl]xanthine Formula: C20H25N5O3S MolecularWeight: 415.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

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