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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-1H-pyrimidin-4-one Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3/c18-13-11(17(19)20)12(14-8-15-13)16-6-5-9-3-1-2-4-10(9)7-16/h1-4,8H,5-7H2,(H,14,15,18)