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

Systemtic Name: 2-[3-[2-(5-cyano-2-nitro-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]guanidine Openeye Name: 2-[3-[6-(benzylamino)-2-(5-cyano-2-nitro-phenoxy)-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine CAS Name: 2-[3-[[2-(5-cyano-2-nitrophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-[6-(benzylamino)-2-(5-cyano-2-nitrophenoxy)-5-nitropyrimidin-4-yl]oxyphenyl]guanidine Traditional Name: 2-[3-[6-(benzylamino)-2-(5-cyano-2-nitro-phenoxy)-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine Formula: C25H19N9O6 MolecularWeight: 541.47506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N9O6/c26-13-16-9-10-19(33(35)36)20(11-16)40-25-31-22(29-14-15-5-2-1-3-6-15)21(34(37)38)23(32-25)39-18-8-4-7-17(12-18)30-24(27)28/h1-12H,14H2,(H4,27,28,30)(H,29,31,32)