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

Systemtic Name: 3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3S/c1-17-11-10(12(20)16-13(17)21)18(14(22)15-11)7-9(19)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,22)(H,16,20,21)