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

Systemtic Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-29-15-9-10-18(30-2)16(12-15)24-20-19(26(27)28)21(23-13-22-20)25-11-5-7-14-6-3-4-8-17(14)25/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H,22,23,24)