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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C18H16N6O2 MolecularWeight: 348.35864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O2/c25-24(26)16-17(22-15-6-3-8-19-10-15)20-12-21-18(16)23-9-7-13-4-1-2-5-14(13)11-23/h1-6,8,10,12H,7,9,11H2,(H,20,21,22)