N6-(3-imidazol-1-ylpropyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H19N7O3 MolecularWeight: 321.33506

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C13H19N7O3/c1-23-8-5-16-13-11(20(21)22)12(17-9-18-13)15-3-2-6-19-7-4-14-10-19/h4,7,9-10H,2-3,5-6,8H2,1H3,(H2,15,16,17,18)