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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O2/c27-26(28)19-20(22-12-10-16-6-2-1-3-7-16)23-15-24-21(19)25-13-11-17-8-4-5-9-18(17)14-25/h1-9,15H,10-14H2,(H,22,23,24)