5-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-[(1R)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-ethyl-2-thioxo-pyrimidine-4,6-diolate Formula: C17H17N3O3S-2 MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)[O-])C2C3=CC=CC=C3CCN2C(=O)C)[O-]

Isomeric SMILES

CCN1C(=C(C(=NC1=S)[O-])[C@H]2C3=CC=CC=C3CCN2C(=O)C)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-3-19-16(23)13(15(22)18-17(19)24)14-12-7-5-4-6-11(12)8-9-20(14)10(2)21/h4-7,14,23H,3,8-9H2,1-2H3,(H,18,22,24)/p-2/t14-/m1/s1