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

Systemtic Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O3/c1-28-16-9-4-8-15(12-16)23-19-18(25(26)27)20(22-13-21-19)24-11-5-7-14-6-2-3-10-17(14)24/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,21,22,23)