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

Systemtic Name: 3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methylphenyl)thio]ethyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-[2-(p-tolylthio)ethyl]xanthine Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C3=C(N=C2N4CCOCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H23N5O3S/c1-13-3-5-14(6-4-13)28-12-9-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-7-10-27-11-8-23/h3-6H,7-12H2,1-2H3,(H,21,25,26)