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

Systemtic Name: 2-[3-[4-(5-cyano-2-phenoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-5-methyl-phenyl]guanidine Openeye Name: 2-[3-[4-(benzylamino)-6-(5-cyano-2-phenoxy-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-5-methyl-phenyl]guanidine CAS Name: 2-[3-[[4-(5-cyano-2-phenoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-5-methylphenyl]guanidine IUPAC Name: 2-[3-[4-(benzylamino)-6-(5-cyano-2-phenoxyphenoxy)-5-nitropyrimidin-2-yl]oxy-5-methylphenyl]guanidine Traditional Name: 2-[3-[4-(benzylamino)-6-(5-cyano-2-phenoxy-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-5-methyl-phenyl]guanidine Formula: C32H26N8O5 MolecularWeight: 602.59944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)OC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5)N=C(N)N

InChI

InChI=1S/C32H26N8O5/c1-20-14-23(37-31(34)35)17-25(15-20)44-32-38-29(36-19-21-8-4-2-5-9-21)28(40(41)42)30(39-32)45-27-16-22(18-33)12-13-26(27)43-24-10-6-3-7-11-24/h2-17H,19H2,1H3,(H4,34,35,37)(H,36,38,39)