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

Systemtic Name: N4,N6-bis(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N9O2 MolecularWeight: 371.39704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N9O2/c26-25(27)14-15(19-3-1-7-23-9-5-17-12-23)21-11-22-16(14)20-4-2-8-24-10-6-18-13-24/h5-6,9-13H,1-4,7-8H2,(H2,19,20,21,22)