N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C26H25N5O5 MolecularWeight: 487.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N5O5/c1-34-22-13-8-18(16-23(22)35-2)14-15-27-25-24(31(32)33)26(29-17-28-25)30-19-9-11-21(12-10-19)36-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H2,27,28,29,30)