ethyl 7-cyano-6-ethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 7-cyano-6-ethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylate Openeye Name: ethyl 7-cyano-6-ethyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylate CAS Name: 7-cyano-6-ethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 7-cyano-6-ethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylate Traditional Name: 7-cyano-6-ethyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1C(=O)OCC)C(=S)N=CN2)C#N

Isomeric SMILES

CCC1=C(C2=C(N1C(=O)OCC)C(=S)N=CN2)C#N

InChI

InChI=1S/C12H12N4O2S/c1-3-8-7(5-13)9-10(11(19)15-6-14-9)16(8)12(17)18-4-2/h6H,3-4H2,1-2H3,(H,14,15,19)