N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-morpholin-4-ylethyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

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