1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)N4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)N4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H25N5O4S/c1-14-4-6-15(7-5-14)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)31-13-16(27)25-8-10-30-11-9-25/h4-7H,8-13H2,1-3H3