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

Systemtic Name: N4-(3-imidazol-1-ylpropyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-imidazol-1-ylpropyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-[3-(1-imidazolyl)propyl]-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-imidazol-1-ylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C13H19N7O2 MolecularWeight: 305.33566

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N7O2/c1-2-4-15-12-11(20(21)22)13(18-9-17-12)16-5-3-7-19-8-6-14-10-19/h6,8-10H,2-5,7H2,1H3,(H2,15,16,17,18)