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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4,N4-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C16H25N7O4 MolecularWeight: 379.4142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N7O4/c1-26-10-8-22(9-11-27-2)16-14(23(24)25)15(19-12-20-16)18-4-3-6-21-7-5-17-13-21/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,18,19,20)