N4-(2-chloranylpyridin-3-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20ClN7O3 MolecularWeight: 393.8281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN7O3/c17-14-12(3-1-4-18-14)22-16-13(24(25)26)15(20-11-21-16)19-5-2-6-23-7-9-27-10-8-23/h1,3-4,11H,2,5-10H2,(H2,19,20,21,22)