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

Systemtic Name: 2-(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3/c24-23(25)16-17(22-9-7-13-4-1-2-5-14(13)11-22)20-12-21-18(16)26-15-6-3-8-19-10-15/h1-6,8,10,12H,7,9,11H2