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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O2/c32-31(33)23-24(29-15-13-20-10-4-5-11-21(20)17-29)27-18-28-25(23)30(22-12-6-7-14-26-22)16-19-8-2-1-3-9-19/h1-12,14,18H,13,15-17H2