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

Systemtic Name: N6-(diphenylmethyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-benzhydryl-N4-benzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(diphenylmethyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzhydryl-4-N-benzyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C29H24N6O2 MolecularWeight: 488.53986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N6O2/c36-35(37)27-28(33-26(23-14-6-2-7-15-23)24-16-8-3-9-17-24)31-21-32-29(27)34(25-18-10-11-19-30-25)20-22-12-4-1-5-13-22/h1-19,21,26H,20H2,(H,31,32,33)