1-[3-[4-(3-cyano-5-phenoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxyphenyl]urea

Systemtic Name: 1-[3-[4-(3-cyano-5-phenoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxyphenyl]urea Openeye Name: [3-[4-(benzylamino)-6-(3-cyano-5-phenoxy-phenoxy)-5-nitro-pyrimidin-2-yl]oxyphenyl]urea CAS Name: [3-[[4-(3-cyano-5-phenoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]phenyl]urea IUPAC Name: [3-[4-(benzylamino)-6-(3-cyano-5-phenoxyphenoxy)-5-nitropyrimidin-2-yl]oxyphenyl]urea Traditional Name: [3-[4-(benzylamino)-6-(3-cyano-5-phenoxy-phenoxy)-5-nitro-pyrimidin-2-yl]oxyphenyl]urea Formula: C31H23N7O6 MolecularWeight: 589.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=CC=CC(=C3)NC(=O)N)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=CC=CC(=C3)NC(=O)N)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)[N+](=O)[O-]

InChI

InChI=1S/C31H23N7O6/c32-18-21-14-25(42-23-11-5-2-6-12-23)17-26(15-21)43-29-27(38(40)41)28(34-19-20-8-3-1-4-9-20)36-31(37-29)44-24-13-7-10-22(16-24)35-30(33)39/h1-17H,19H2,(H3,33,35,39)(H,34,36,37)