2,4-di(imidazol-1-yl)-5-nitro-6-propyl-pyrimidine

Systemtic Name: 2,4-di(imidazol-1-yl)-5-nitro-6-propyl-pyrimidine Openeye Name: 2,4-di(imidazol-1-yl)-5-nitro-6-propyl-pyrimidine CAS Name: 2,4-bis(1-imidazolyl)-5-nitro-6-propylpyrimidine IUPAC Name: 2,4-di(imidazol-1-yl)-5-nitro-6-propylpyrimidine Traditional Name: 2,4-di(imidazol-1-yl)-5-nitro-6-propyl-pyrimidine Formula: C13H13N7O2 MolecularWeight: 299.28802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)N2C=CN=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=NC(=N1)N2C=CN=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O2/c1-2-3-10-11(20(21)22)12(18-6-4-14-8-18)17-13(16-10)19-7-5-15-9-19/h4-9H,2-3H2,1H3