N2,N2,N4,N4,N6,5-hexakis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2,N2,N4,N4,N6,5-hexakis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine Openeye Name: N2,N2,N4,N4,N6,5-hexakis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine CAS Name: N2,N2,N4,N4,N6,5-hexakis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N,2-N,4-N,4-N,6-N,5-hexakis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine Traditional Name: [2-(4-ethoxy-N-p-phenetyl-anilino)-6-(p-phenetidino)-5-p-phenetyl-pyrimidin-4-yl]-bis(p-phenetyl)amine Formula: C52H55N5O6 MolecularWeight: 846.023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N=C(N=C2N(C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)OCC)N(C5=CC=C(C=C5)OCC)C6=CC=C(C=C6)OCC)NC7=CC=C(C=C7)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N=C(N=C2N(C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)OCC)N(C5=CC=C(C=C5)OCC)C6=CC=C(C=C6)OCC)NC7=CC=C(C=C7)OCC

InChI

InChI=1S/C52H55N5O6/c1-7-58-43-25-13-37(14-26-43)49-50(53-38-15-27-44(28-16-38)59-8-2)54-52(57(41-21-33-47(34-22-41)62-11-5)42-23-35-48(36-24-42)63-12-6)55-51(49)56(39-17-29-45(30-18-39)60-9-3)40-19-31-46(32-20-40)61-10-4/h13-36H,7-12H2,1-6H3,(H,53,54,55)