1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenacyl-8-thioxo-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenacyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-17-12-11(13(21)18(2)15(17)22)19(14(23)16-12)8-10(20)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,23)