N4-ethyl-5-nitro-N4-phenyl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-5-nitro-N4-phenyl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-5-nitro-N4-phenyl-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-5-nitro-N4-phenyl-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-5-nitro-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: ethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-phenyl-amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H18N6O2/c1-2-23(15-8-4-3-5-9-15)18-16(24(25)26)17(21-13-22-18)20-12-14-7-6-10-19-11-14/h3-11,13H,2,12H2,1H3,(H,20,21,22)