6-[(E)-2-(4-bromophenyl)ethenyl]-N2,N4-bis(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-N2,N4-bis(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(E)-2-(4-bromophenyl)vinyl]-N2,N4-bis(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-N2,N4-bis(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-2-N,4-N-bis(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-[(E)-2-(4-bromophenyl)vinyl]-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]-p-phenetyl-amine Formula: C28H26BrN5O4 MolecularWeight: 576.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C=CC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])/C=C/C3=CC=C(C=C3)Br)NC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H26BrN5O4/c1-3-37-23-14-10-21(11-15-23)30-27-26(34(35)36)25(18-7-19-5-8-20(29)9-6-19)32-28(33-27)31-22-12-16-24(17-13-22)38-4-2/h5-18H,3-4H2,1-2H3,(H2,30,31,32,33)/b18-7+