N6-(2-chloranylpyridin-3-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H19ClN6O2 MolecularWeight: 446.88896

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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-])NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C23H19ClN6O2/c24-21-19(12-7-13-25-21)28-22-20(30(31)32)23(27-16-26-22)29(14-17-8-3-1-4-9-17)15-18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,26,27,28)