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

Systemtic Name: heptan-3-yl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: 1-ethylpentyl 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 heptan-3-yl ester IUPAC Name: heptan-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-ethylpentyl ester Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O3/c1-4-6-7-9(5-2)21-12(19)10-11-15-16-17(3)13(20)18(11)8-14-10/h8-9H,4-7H2,1-3H3