N6-(3-morpholin-4-ylpropyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N6O3/c28-27(29)19-20(22-9-4-10-26-11-13-30-14-12-26)23-15-24-21(19)25-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H2,22,23,24,25)