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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H27N5O3S/c1-13-5-7-16(8-6-13)30-10-9-26-17-18(24(4)21(28)23-19(17)27)22-20(26)25-11-14(2)29-15(3)12-25/h5-8,14-15H,9-12H2,1-4H3,(H,23,27,28)