N6-methyl-N4-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-methyl-N4-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-methyl-N4-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-methyl-N4-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-methyl-4-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H20N6O3 MolecularWeight: 296.3256

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H20N6O3/c1-13-11-10(18(19)20)12(16-9-15-11)14-3-2-4-17-5-7-21-8-6-17/h9H,2-8H2,1H3,(H2,13,14,15,16)