ethyl 2-[3,4-bis(azanyl)-5-oxidanylidene-1,2,4-triazin-6-yl]octanoate

Systemtic Name: ethyl 2-[3,4-bis(azanyl)-5-oxidanylidene-1,2,4-triazin-6-yl]octanoate Openeye Name: ethyl 2-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)octanoate CAS Name: 2-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)octanoate Traditional Name: 2-(3,4-diamino-5-keto-1,2,4-triazin-6-yl)caprylic acid ethyl ester Formula: C13H23N5O3 MolecularWeight: 297.35342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=NN=C(N(C1=O)N)N)C(=O)OCC

Isomeric SMILES

CCCCCCC(C1=NN=C(N(C1=O)N)N)C(=O)OCC

InChI

InChI=1S/C13H23N5O3/c1-3-5-6-7-8-9(12(20)21-4-2)10-11(19)18(15)13(14)17-16-10/h9H,3-8,15H2,1-2H3,(H2,14,17)