1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[[4-(4-nitrophenyl)-2-pyrimidinyl]amino]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C27H20N8O3 MolecularWeight: 504.4995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC4=NC=CC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC4=NC=CC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N8O3/c36-27(32-25-15-14-22(33-34-25)18-6-2-1-3-7-18)31-24-9-5-4-8-23(24)30-26-28-17-16-21(29-26)19-10-12-20(13-11-19)35(37)38/h1-17H,(H,28,29,30)(H2,31,32,34,36)