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

Systemtic Name: N6-ethyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N4-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H17N7O2 MolecularWeight: 291.30908

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N7O2/c1-2-14-11-10(19(20)21)12(17-8-16-11)15-4-3-6-18-7-5-13-9-18/h5,7-9H,2-4,6H2,1H3,(H2,14,15,16,17)