N6-[(4-fluorophenyl)methyl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[(4-fluorophenyl)methyl]-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H19FN6O2 MolecularWeight: 430.434363

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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-])NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN6O2/c24-19-11-9-17(10-12-19)14-26-22-21(30(31)32)23(28-16-27-22)29(20-8-4-5-13-25-20)15-18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H,26,27,28)