ethyl 3-(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2H-1,2,3,4-tetrazine-6-carboxylate

Systemtic Name: ethyl 3-(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2H-1,2,3,4-tetrazine-6-carboxylate Openeye Name: ethyl 3-[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]-2H-tetrazine-6-carboxylate CAS Name: 3-[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-2H-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2H-tetrazine-6-carboxylate Traditional Name: 3-(4-amino-6-piperidino-s-triazin-2-yl)-2H-tetrazine-6-carboxylic acid ethyl ester Formula: C13H19N9O2 MolecularWeight: 333.34906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(N=C1)C2=NC(=NC(=N2)N3CCCCC3)N

Isomeric SMILES

CCOC(=O)C1=NNN(N=C1)C2=NC(=NC(=N2)N3CCCCC3)N

InChI

InChI=1S/C13H19N9O2/c1-2-24-10(23)9-8-15-22(20-19-9)13-17-11(14)16-12(18-13)21-6-4-3-5-7-21/h8,20H,2-7H2,1H3,(H2,14,16,17,18)