2-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C16H14N6O2/c23-22(24)14-15(18-10-19-16(14)21-8-6-17-11-21)20-7-5-12-3-1-2-4-13(12)9-20/h1-4,6,8,10-11H,5,7,9H2