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

Systemtic Name: N6-butyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H21N7O2 MolecularWeight: 319.36224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N7O2/c1-2-3-5-16-13-12(21(22)23)14(19-10-18-13)17-6-4-8-20-9-7-15-11-20/h7,9-11H,2-6,8H2,1H3,(H2,16,17,18,19)