5-nitro-N4,N6,N6-tris(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6,N6-tris(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4,N6,N6-tribenzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6,N6-tris(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,6-N,6-N-tribenzyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C30H26N6O2 MolecularWeight: 502.56644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N(CC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N(CC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C30H26N6O2/c37-36(38)28-29(34(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25)32-23-33-30(28)35(27-18-10-11-19-31-27)22-26-16-8-3-9-17-26/h1-19,23H,20-22H2