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

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3

InChI

InChI=1S/C16H21N7O3/c24-23(25)14-15(18-4-1-7-22-8-10-26-11-9-22)19-12-20-16(14)21-13-2-5-17-6-3-13/h2-3,5-6,12H,1,4,7-11H2,(H2,17,18,19,20,21)