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

Systemtic Name: 2-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H20N4O3/c1-14-9-15(2)11-18(10-14)28-21-19(25(26)27)20(22-13-23-21)24-8-7-16-5-3-4-6-17(16)12-24/h3-6,9-11,13H,7-8,12H2,1-2H3