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

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c24-23(25)14-15(18-5-2-6-22-7-9-26-10-8-22)19-12-20-16(14)21-13-3-1-4-17-11-13/h1,3-4,11-12H,2,5-10H2,(H2,18,19,20,21)