ethyl 8-piperidin-1-ylcarbonyl-4-sulfanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate

Systemtic Name: ethyl 8-piperidin-1-ylcarbonyl-4-sulfanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate Openeye Name: ethyl 8-(piperidine-1-carbonyl)-4-thioxo-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate CAS Name: 8-[oxo(1-piperidinyl)methyl]-4-sulfanylidene-3-imidazo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(piperidine-1-carbonyl)-4-sulfanylideneimidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylate Traditional Name: 8-(piperidine-1-carbonyl)-4-thioxo-imidazo[5,1-d][1,2,3,5]tetrazine-3-carboxylic acid ethyl ester Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1C(=S)N2C=NC(=C2N=N1)C(=O)N3CCCCC3

InChI

InChI=1S/C13H16N6O3S/c1-2-22-13(21)19-12(23)18-8-14-9(10(18)15-16-19)11(20)17-6-4-3-5-7-17/h8H,2-7H2,1H3