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

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-chloro-3-pyridyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-chloropyridin-3-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H16ClN7O2 MolecularWeight: 433.85044

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

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H16ClN7O2/c22-19-16(9-6-12-24-19)27-20-18(29(30)31)21(26-14-25-20)28(17-10-4-5-11-23-17)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,25,26,27)