8-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 8-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 8-(3,4-dimethoxyphenyl)-2-thioxo-3,7-dihydropurin-6-one CAS Name: 8-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 8-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 8-(3,4-dimethoxyphenyl)-2-thioxo-3,7-dihydropurin-6-one Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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