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

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O2S/c27-26(28)17-18(24-20-23-15-7-3-4-8-16(15)29-20)21-12-22-19(17)25-10-9-13-5-1-2-6-14(13)11-25/h1-8,12H,9-11H2,(H,21,22,23,24)