1-[4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]phenyl]propan-1-one

Systemtic Name: 1-[4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]phenyl]propan-1-one Openeye Name: 1-[4-(2,4,6-triaminopyrimidin-5-yl)azophenyl]propan-1-one CAS Name: 1-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-1-propanone IUPAC Name: 1-[4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]phenyl]propan-1-one Traditional Name: 1-[4-(2,4,6-triaminopyrimidin-5-yl)azophenyl]propan-1-one Formula: C13H15N7O MolecularWeight: 285.3045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O/c1-2-9(21)7-3-5-8(6-4-7)19-20-10-11(14)17-13(16)18-12(10)15/h3-6H,2H2,1H3,(H6,14,15,16,17,18)