6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2/c1-2-15-8-3-5-11-17(15)24-20-19(26(27)28)21(23-14-22-20)25-13-7-10-16-9-4-6-12-18(16)25/h3-6,8-9,11-12,14H,2,7,10,13H2,1H3,(H,22,23,24)