N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C15H16N8O2 MolecularWeight: 340.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N8O2/c24-23(25)13-14(18-4-1-8-22-9-7-17-11-22)19-10-20-15(13)21-12-2-5-16-6-3-12/h2-3,5-7,9-11H,1,4,8H2,(H2,16,18,19,20,21)