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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(1S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-pyrimidine-4,6-diolate Formula: C23H25N3O3S-2 MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC=CC=C2C1C3=C(N(C(=S)N=C3[O-])CCC4=CCCCC4)[O-]

Isomeric SMILES

CC(=O)N1CCC2=CC=CC=C2[C@H]1C3=C(N(C(=S)N=C3[O-])CCC4=CCCCC4)[O-]

InChI

InChI=1S/C23H27N3O3S/c1-15(27)25-14-12-17-9-5-6-10-18(17)20(25)19-21(28)24-23(30)26(22(19)29)13-11-16-7-3-2-4-8-16/h5-7,9-10,20,29H,2-4,8,11-14H2,1H3,(H,24,28,30)/p-2/t20-/m0/s1