N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H23N7O3/c28-27(29)18-19(22-8-3-9-26-10-12-30-13-11-26)23-14-24-20(18)25-16-6-1-4-15-5-2-7-21-17(15)16/h1-2,4-7,14H,3,8-13H2,(H2,22,23,24,25)