5-nitro-N4-(1-phenylethyl)-N6-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H18N6O2/c1-14(15-7-3-2-4-8-15)25-20-19(27(28)29)21(24-13-23-20)26-18-11-5-10-17-16(18)9-6-12-22-17/h2-14H,1H3,(H2,23,24,25,26)