8-(2-methoxy-4-methylsulfanyl-phenyl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-methoxy-4-methylsulfanyl-phenyl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2-methoxy-4-methylsulfanyl-phenyl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-methoxy-4-(methylthio)phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2-methoxy-4-methylsulfanylphenyl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-methoxy-4-(methylthio)phenyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C15H16N4O3S/c1-18-13-11(14(20)19(2)15(18)21)16-12(17-13)9-6-5-8(23-4)7-10(9)22-3/h5-7H,1-4H3,(H,16,17)