5-nitro-N6-(4-phenyldiazenylphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-phenyldiazenylphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(4-phenylazophenyl)-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenyldiazenylphenyl)-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-phenyldiazenylphenyl)-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C21H16N8O2 MolecularWeight: 412.40414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N8O2/c30-29(31)19-20(23-14-24-21(19)26-18-7-4-12-22-13-18)25-15-8-10-17(11-9-15)28-27-16-5-2-1-3-6-16/h1-14H,(H2,23,24,25,26)