ethyl 4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoate Openeye Name: ethyl 4-(2,4,6-triaminopyrimidin-5-yl)azobenzoate CAS Name: 4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoate Traditional Name: 4-(2,4,6-triaminopyrimidin-5-yl)azobenzoic acid ethyl ester Formula: C13H15N7O2 MolecularWeight: 301.3039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C13H15N7O2/c1-2-22-12(21)7-3-5-8(6-4-7)19-20-9-10(14)17-13(16)18-11(9)15/h3-6H,2H2,1H3,(H6,14,15,16,17,18)