ethyl 6-oxidanylidene-1-phenyl-2-sulfanylidene-3H-purine-9-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1-phenyl-2-sulfanylidene-3H-purine-9-carboxylate Openeye Name: ethyl 6-oxo-1-phenyl-2-thioxo-3H-purine-9-carboxylate CAS Name: 6-oxo-1-phenyl-2-sulfanylidene-3H-purine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-phenyl-2-sulfanylidene-3H-purine-9-carboxylate Traditional Name: 6-keto-1-phenyl-2-thioxo-3H-purine-9-carboxylic acid ethyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=NC2=C1NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C=NC2=C1NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3S/c1-2-21-14(20)17-8-15-10-11(17)16-13(22)18(12(10)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,22)