pentan-3-yl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: pentan-3-yl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: 1-ethylpropyl 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxylic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid 1-ethylpropyl ester Formula: C11H15N5O3 MolecularWeight: 265.2685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1=C2N=NN(C(=O)N2C=N1)C

Isomeric SMILES

CCC(CC)OC(=O)C1=C2N=NN(C(=O)N2C=N1)C

InChI

InChI=1S/C11H15N5O3/c1-4-7(5-2)19-10(17)8-9-13-14-15(3)11(18)16(9)6-12-8/h6-7H,4-5H2,1-3H3