ethyl 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylate

Systemtic Name: ethyl 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylate Openeye Name: ethyl 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylate CAS Name: 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylate Traditional Name: 9-cyano-5-methyl-3H-imidazo[5,1-d][1,2,3,5]tetrazepine-4-carboxylic acid ethyl ester Formula: C10H10N6O2 MolecularWeight: 246.2254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C=NC(=C2N=NN1)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N2C=NC(=C2N=NN1)C#N)C

InChI

InChI=1S/C10H10N6O2/c1-3-18-10(17)8-6(2)16-5-12-7(4-11)9(16)14-15-13-8/h5H,3H2,1-2H3,(H,13,14)