N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-2-methyl-quinolin-8-amine CAS Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: (6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-(2-methyl-8-quinolyl)amine Formula: C22H18N6O2 MolecularWeight: 398.41732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54)C=C1

InChI

InChI=1S/C22H18N6O2/c1-14-9-10-16-6-4-7-17(19(16)25-14)26-21-20(28(29)30)22(24-13-23-21)27-12-11-15-5-2-3-8-18(15)27/h2-10,13H,11-12H2,1H3,(H,23,24,26)