5-nitro-N4-(1-phenylethyl)-N6-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

InChI

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