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

Systemtic Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

InChI

InChI=1S/C17H16N6O2/c1-22(11-13-5-3-2-4-6-13)17-15(23(24)25)16(19-12-20-17)21-14-7-9-18-10-8-14/h2-10,12H,11H2,1H3,(H,18,19,20,21)