2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)OC

InChI

InChI=1S/C15H14N4O4S/c1-22-10-4-3-8(5-11(10)23-2)9(20)6-24-15-18-13-12(14(21)19-15)16-7-17-13/h3-5,7H,6H2,1-2H3,(H2,16,17,18,19,21)