1,3-dimethyl-7-[(4-methylsulfanylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylsulfanylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-methylsulfanylphenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[4-(methylthio)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylsulfanylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-(methylthio)benzyl]xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C15H16N4O2S/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3