5-nitro-N4-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(4-phenylazophenyl)amine Formula: C16H13N7O2 MolecularWeight: 335.32012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C16H13N7O2/c17-15-14(23(24)25)16(19-10-18-15)20-11-6-8-13(9-7-11)22-21-12-4-2-1-3-5-12/h1-10H,(H3,17,18,19,20)