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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C19H16N6O4 MolecularWeight: 392.36814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O4/c26-24(27)16-7-3-6-15(10-16)22-18-17(25(28)29)19(21-12-20-18)23-9-8-13-4-1-2-5-14(13)11-23/h1-7,10,12H,8-9,11H2,(H,20,21,22)