5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-keto-1H-pyrimidin-2-olate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-12-11(7-14-13(18)15-12)21(19,20)16-6-5-9-3-1-2-4-10(9)8-16/h1-4,7H,5-6,8H2,(H2,14,15,17,18)/p-1