8-(2-methoxy-5-methylsulfanyl-phenyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(2-methoxy-5-methylsulfanyl-phenyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-(2-methoxy-5-methylsulfanyl-phenyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-[2-methoxy-5-(methylthio)phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(2-methoxy-5-methylsulfanylphenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-[2-methoxy-5-(methylthio)phenyl]-7H-xanthine Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C13H12N4O3S/c1-20-8-4-3-6(21-2)5-7(8)10-14-9-11(15-10)16-13(19)17-12(9)18/h3-5H,1-2H3,(H3,14,15,16,17,18,19)