2-oxidanidyl-4-pyrimidin-5-yl-isoquinolin-2-ium

Systemtic Name: 2-oxidanidyl-4-pyrimidin-5-yl-isoquinolin-2-ium Openeye Name: 2-oxido-4-pyrimidin-5-yl-isoquinolin-2-ium CAS Name: 2-oxido-4-(5-pyrimidinyl)isoquinolin-2-ium IUPAC Name: 2-oxido-4-pyrimidin-5-ylisoquinolin-2-ium Traditional Name: 2-oxido-4-(5-pyrimidyl)isoquinolin-2-ium Formula: C13H9N3O MolecularWeight: 223.23006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C=C2C3=CN=CN=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C=C2C3=CN=CN=C3)[O-]

InChI

InChI=1S/C13H9N3O/c17-16-7-10-3-1-2-4-12(10)13(8-16)11-5-14-9-15-6-11/h1-9H