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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCOC(=O)C1=C2N=NN(C(=O)N2C=N1)C

Isomeric SMILES

CCCC(C)CCOC(=O)C1=C2N=NN(C(=O)N2C=N1)C

InChI

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